Basic information
- CAS
76981-43-6- Standard SMILES
O=C(O)COc1cccc(C(=O)c2ccccc2)c1- InChIKey
CHEIRSAFNUUELX-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- Acetic acid, (m-benzoylphenoxy)-
- IUPAC
- 2-(3-benzoylphenoxy)acetic acid
Names & synonyms
ACETIC ACID, (m-BENZOYLPHENOXY)-2-(m-Benzoylphenoxy)acetic acidBRN 554944676981-43-6DTXSID60227776RefChem:316324DTXCID10150267(3-Benzoylphenoxy)acetic acidSCHEMBL5315044
Database identifiers
- CAS
76981-43-6- PubChem CID
- 53563
- DTXSID
DTXSID60227776- Nikkaji
- J85.189B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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