Basic information
- CAS
4281-16-7- Standard SMILES
O=C(O)c1ccccc1CC(=O)c1ccccc1C(=O)O- InChIKey
YPNGOYFSQMSAOZ-UHFFFAOYSA-N- Molecular formula
- C16H12O5
- Average molar mass
- 284.26 g/mol
- Monoisotopic mass
- 284.06847348
Names & identifiers
- Preferred name
- Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-
- IUPAC
- 2-[2-(2-carboxyphenyl)-2-oxoethyl]benzoic acid
Names & synonyms
Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-4281-16-7F 1214BRN 27015132,2'-(1-Oxo-1,2-ethanediyl)bisbenzoic acidBenzoic acid, 2,2'-(oxoethylene)di-Acide (carboxy-2-benzoyl)-alpha ortho-toluique [French]Acide (carboxy-2-benzoyl)-alpha ortho-toluiqueDTXSID701954924-10-00-03497 (Beilstein Handbook Reference)RefChem:326525DTXCID80117983
Show more names
Benzoic acid, 2,2'-(oxoethylene)di-(8CI)2,2'-(1-oxoethane-1,2-diyl)dibenzoic acid2-[2-(2-carboxyphenyl)-2-oxoethyl]benzoic acid2,2'-acetyldibenzoic acid2,2'-dicarboxydeoxybenzoinAKOS004905486
Database identifiers
- CAS
4281-16-7- PubChem CID
- 77965
- DTXSID
DTXSID70195492
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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