Basic information
- CAS
2881-31-4- Standard SMILES
O=C(Cc1ccccc1C(=O)O)c1ccccc1- InChIKey
MLCPCDOOBNXTFB-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 2-(2-Oxo-2-phenylethyl)benzoic acid
- IUPAC
- 2-phenacylbenzoic acid
- English name
- 2-(2-Oxo-2-phenylethyl)benzoic acid
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
2881-31-4o-Phenacylbenzoic acid2-(2-OXO-2-PHENYLETHYL)BENZOIC ACID2-phenacylbenzoic acidBenzoic acid, 2-(2-oxo-2-phenylethyl)-SQ6KA96ZXTNSC-401493DTXSID20182998F-1212RefChem:1060926DTXCID60105489alpha-Benzoyl-o-toluic acid
Show more names
2-(2-keto-2-phenyl-ethyl)benzoic acid
o-Toluic acid, alpha-benzoyl-F 1212MFCD01679622NSC 401493BRN 1112478Acide benzoyl-alpha orthotoluique [French]Acide benzoyl-alpha orthotoluiqueo-Toluic acid, .alpha.-benzoyl-
Database identifiers
- CAS
2881-31-4- PubChem CID
- 76147
- DTXSID
DTXSID20182998- UNII
- SQ6KA96ZXT
- Nikkaji
- J13.720K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- FDA UNII
- 6 KA96ZXT · SQ6KA96ZXT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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