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Basic information
- CAS
75226-99-2- Standard SMILES
COc1ccc(C(=O)c2ccc(OC)cc2OCC(=O)O)cc1- InChIKey
VBRKMPXAGKGMJP-UHFFFAOYSA-N- Molecular formula
- C17H16O6
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.09468823
Names & identifiers
- Preferred name
- Acetic acid, (5-methoxy-2-(4-methoxybenzoyl)phenoxy)-
- IUPAC
- 2-[5-methoxy-2-(4-methoxybenzoyl)phenoxy]acetic acid
Names & synonyms
BRN 2303921ACETIC ACID, (5-METHOXY-2-(4-METHOXYBENZOYL)PHENOXY)-(5-Methoxy-2-(4-methoxybenzoyl)phenoxy)acetic acid75226-99-2DTXSID502261974-08-00-03165 (Beilstein Handbook Reference)[5-Methoxy-2-(4-methoxybenzoyl)phenoxy]acetic acidRefChem:316280DTXCID50148688
Database identifiers
- CAS
75226-99-2- PubChem CID
- 53185
- DTXSID
DTXSID50226197
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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