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Basic information
- CAS
178313-44-5- Standard SMILES
CC(=O)c1ccc(-c2ccc(C(=O)O)cc2)c(C)c1- InChIKey
JORBZRSUCASUMA-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.09429431
Names & identifiers
- Preferred name
- 4'-Acetyl-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid
- IUPAC
- 4-(4-acetyl-2-methylphenyl)benzoic acid
Names & synonyms
178313-44-54'-acetyl-2'-methylbiphenyl-4-carboxylic acid4'-Acetyl-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid4-(4-acetyl-2-methylphenyl)benzoic acidSCHEMBL77521364'-Acetyl-2'-methyl-[1,1'-biphenyl]-4-carboxylicacidDTXSID60618620JORBZRSUCASUMA-UHFFFAOYSA-NAKOS015841053DB-0652244'-Acetyl-2'-methyl[1,1'-biphenyl]-4-carboxylic acid[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-2'-methyl-
Database identifiers
- CAS
178313-44-5- PubChem CID
- 21833739
- DTXSID
DTXSID60618620
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
1 records
Compound notes
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