Basic information
- CAS
76350-84-0- Standard SMILES
CCOC(=O)c1cccc(-c2ccccc2C)c1- InChIKey
ZPVOQGKXJAZROX-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- Ethyl 2'-methyl[1,1'-biphenyl]-3-carboxylate
- IUPAC
- ethyl 3-(2-methylphenyl)benzoate
- English name
- [1,1'-Biphenyl]-3-carboxylic acid, 2'-Methyl-, ethyl ester
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
76350-84-0Ethyl 2'-methyl[1,1'-biphenyl]-3-carboxylateETHYL 3-(2-METHYLPHENYL)BENZOATE[1,1'-Biphenyl]-3-carboxylic acid, 2'-methyl-, ethyl esterSCHEMBL3947571DTXSID50511499ZPVOQGKXJAZROX-UHFFFAOYSA-NAKOS0026834632'-Methyl-biphenyl-3-carboxylic acid ethyl ester
Database identifiers
- CAS
76350-84-0- PubChem CID
- 12853045
- DTXSID
DTXSID50511499
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 359.3 · 359.3±21.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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