Basic information
- CAS
4513-73-9- Standard SMILES
COc1ccc(CC(=O)O)cc1C- InChIKey
GYBWDAKGSPTODN-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4-Methoxy-3-methylphenylacetic acid
- IUPAC
- 2-(4-methoxy-3-methylphenyl)acetic acid
- English name
- 4-Methoxy-3-methylphenylacetic acid
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
4-Methoxy-3-methylphenylacetic acid4513-73-9DTXSID80196399RefChem:99593DTXCID40118890GYBWDAKGSPTODN-UHFFFAOYSA-N2-(4-methoxy-3-methylphenyl)acetic acid(4-methoxy-3-methylphenyl)acetic acidMFCD00041034Benzeneacetic acid, 4-methoxy-3-methyl-(4-Methoxy-3-methyl-phenyl)-acetic acidSCHEMBL969758
Show more names
VITAS-BB TBB000371RARECHEM AL BO 0415TIMTEC-BB SBB010652ASINEX-REAG BAS 127685324-Methoxy-3-MethylphenylaceticAci
SCHEMBL300945393-methyl-4-methoxyphenylacetic acid4-Methoxy-3-methylbenzeneacetic acidCL8793SBB0106524-methoxy-3-methyl-phenylacetic acid4-Methoxy-3-methylphenyl acetic acidAKOS000302344
Database identifiers
- CAS
4513-73-9- PubChem CID
- 138276
- DTXSID
DTXSID80196399- EC Number
- 674-109-2
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 93 °C · 93 °C
- Boiling point
- 313 ℃ · 313℃
- Density
- 1.146 · 1.146
- Flash point
- 123 ℃ · 123℃
- pka
- 4.45 · 4.45±0.10(Predicted)
- LogP
- 1.88 · 1.880 (est)
- CAS DataBase Reference
- 4513 · 4513-73-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers61 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
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常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
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上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
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杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
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河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
海蔚化学86-21-51086038 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
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Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海研邦医药科技有限公司15618536883 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
18 records
Compound notes
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