Basic information
- CAS
501441-64-1- Standard SMILES
COC(=O)c1ccc(C(C)=O)c2ccccc12- InChIKey
SFXMQSPSAVKMTF-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 1-Naphthalenecarboxylic acid, 4-acetyl-, methyl ester
- IUPAC
- methyl 4-acetylnaphthalene-1-carboxylate
- English name
- Methyl 4-acetyl-1-naphthoate
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
methyl 4-acetyl-1-naphthalenecarboxylate1-Naphthalenecarboxylic acid, 4-acetyl-, methyl esterEC 807-883-9DTXSID601216507RefChem:434769DTXCID001647837807-883-9501441-64-1Methyl 4-Acetyl-1-naphthoatemethyl 4-acetylnaphthalene-1-carboxylateSCHEMBL982076SCHEMBL31049722
Show more names
SCHEMBL31049726SFXMQSPSAVKMTF-UHFFFAOYSA-NSY371988DB-125247NS00004406
Database identifiers
- CAS
501441-64-1- PubChem CID
- 46222385
- DTXSID
DTXSID601216507- EC Number
- 807-883-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Methyl 4-acetyl-1-naphthalenecarboxylate (EC: 807-883-9)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
珠海奥博凯生物医药技术有限公司400-0628126
宁波振岳医药科技有限公司19817745290 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海志信生物医药科技有限公司18701958033 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
5 records
Compound notes
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