Basic information
- CAS
119838-61-8- Standard SMILES
CCOC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1- InChIKey
JPRXSVQGASWWQE-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- Ethyl 4-(4-acetylphenyl)benzoate
- IUPAC
- ethyl 4-(4-acetylphenyl)benzoate
- English name
- RARECHEM AL BI 1393
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
119838-61-8Ethyl 4-(4-acetylphenyl)benzoateEthyl 4'-acetyl-[1,1'-biphenyl]-4-carboxylateMFCD06205170[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-, ethyl esterethyl 4'-acetyl-4-biphenylcarboxylateEthyl4'-acetyl-[1,1'-biphenyl]-4-carboxylateSCHEMBL6784326DTXSID10559877JPRXSVQGASWWQE-UHFFFAOYSA-NAKOS015888581BS-20005
Show more names
RARECHEM AL BI 13931,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-, ethyl ester
CS-0209415Ethyl 4'-acetyl[1,1'-biphenyl]-4-carboxylate4'-Acetyl-biphenyl-4-carboxylic Acid Ethyl Ester
Database identifiers
- CAS
119838-61-8- PubChem CID
- 14401906
- DTXSID
DTXSID10559877- Nikkaji
- J1.991.702I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
4 records
Compound notes
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