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Basic information
- CAS
75226-96-9- Standard SMILES
COc1ccc(C(=O)c2ccc(OCC(=O)O)cc2)c(O)c1- InChIKey
IOLLGHLUCUSEOR-UHFFFAOYSA-N- Molecular formula
- C16H14O6
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.07903816
Names & identifiers
- Preferred name
- Acetic acid, (4-(2-hydroxy-4-methoxybenzoyl)phenoxy)-
- IUPAC
- 2-[4-(2-hydroxy-4-methoxybenzoyl)phenoxy]acetic acid
Names & synonyms
BRN 2296293ACETIC ACID, (4-(2-HYDROXY-4-METHOXYBENZOYL)PHENOXY)-75226-96-9(4-(2-Hydroxy-4-methoxybenzoyl)phenoxy)acetic acidDTXSID70226194[4-(2-Hydroxy-4-methoxybenzoyl)phenoxy]acetic acidRefChem:316237DTXCID70148685
Database identifiers
- CAS
75226-96-9- PubChem CID
- 53183
- DTXSID
DTXSID70226194
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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