Basic information
- CAS
20809-78-3- Standard SMILES
Cc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1- InChIKey
DRVBWVSGMCHHOU-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- 4-Methyl-alpha-(4-methylphenyl)benzeneacetic acid
- IUPAC
- 2,2-bis(4-methylphenyl)acetic acid
- English name
- Bis(p-tolyl)acetic acid
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
20809-78-3Acetic acid, di-p-tolyl-ACETIC ACID, BIS(p-TOLYL)-2,2-Bis(p-tolyl) acetic acidBenzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-DTXSID301749204-Methyl-alpha-(4-methylphenyl)benzeneacetic acidRefChem:1071123DTXCID4097411Di-p-tolylacetic acidBis(p-tolyl)-acetic acid2,2-bis(4-methylphenyl)acetic acid
Show more names
Bis(p-tolyl)acetic acidBenzeneacetic acid, 4-methyl-α-(4-methylphenyl)-
bis(4-methylphenyl)acetic acidNSC-13678NSC13678NSC 13678BRN 2051315Cambridge id 51352766KV65LE9FJOprea1_228951
Database identifiers
- CAS
20809-78-3- PubChem CID
- 30314
- DTXSID
DTXSID30174920- UNII
- 6KV65LE9FJ
- Nikkaji
- J54.182F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 144 °C · 144 °C
- Boiling point
- 332.1 · 332.1±9.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 4.95 · 4.95±0.10(Predicted)
- FDA UNII
- 6 KV65LE9FJ · 6KV65LE9FJ
Chemistry & industry
Suppliers1 total
MPBIO-FINE—
Related reactions
20 records
Compound notes
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