Completing data — usually done within a minute
Basic information
- Standard SMILES
COc1ccc(C2(C(=O)O)CC2)cc1OC- InChIKey
FELRPROQUKLRFC-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920893
Names & identifiers
- Preferred name
- 1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid
- IUPAC
- 1-(3,4-Dimethoxyphenyl)cyclopropane-1-carboxylic acid
- English name
- 1-(3,4-Dimethoxy-phenyl)-cyclopropanecarboxylic acid
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
AKOS BBV-004327CAS:862821-16-71-(3,4-Dimethoxy-phenyl)-cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 1-(3,4-dimethoxyphenyl)-1-(3,4-DIMETHOXYPHENYL)CYCLOPROPANE-1-CARBOXYLIC ACID1-(3,4-Dimethoxyphenyl)cyclopropane-1-carboxylic acid - [D92876]
Database identifiers
- CAS
862821-16-7- PubChem CID
- 11629937
- DTXSID
DTXSID40469718- EC Number
- 108-726-0
Properties
Physicochemical properties
- Boiling point
- 376.4 · 376.4±42.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.13 · 4.13±0.20(Predicted)
- form
- powder
- color
- White
- InChI
- 1S/C12H14O4/c1-15-9-4-3-8(7-10(9)16-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
- InChIKey
- FELRPROQUKLRFC-UHFFFAOYSA-N
- SMILES
- O=C(O)C1(C(C=C2OC)=CC=C2OC)CC1
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · WGK 3
- HS Code
- 2917399590 · 2917399590
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2917399590
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海佰安麦材料科技有限公司13656718387 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
苏州西博利生物科技有限公司17326194005
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海科亩库科技开发有限公司13180083159 · [email protected]
Related reactions
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