3-Benzoyloxy-4-methoxybenzoic acid

HCID 21187940

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 112777-57-8
Standard SMILES: COc1ccc(C(=O)O)cc1OC(=O)c1ccccc1
InChIKey: YELAJXSLRPYVES-UHFFFAOYSA-N
Molecular formula: C15H12O5
Average molar mass: 272.25 g/mol
Monoisotopic mass: 272.06847348

Names & identifiers

Preferred name: 3-Benzoyloxy-4-methoxybenzoic acid
IUPAC: 3-benzoyloxy-4-methoxybenzoic acid

Names & synonyms

3-benzoyloxy-4-methoxybenzoic acid112777-57-8SCHEMBL7343217DTXSID90611225YELAJXSLRPYVES-UHFFFAOYSA-N3-benzoyloxy-4-methoxy-benzoic acid3-(Benzoyloxy)-4-methoxybenzoic acid

Database identifiers

CAS: 112777-57-8
PubChem CID: 21187940
DTXSID: DTXSID90611225

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 348

Related reactions

14 records

New reaction record

HRID 356914As productuspto-grants-1998_11

HRID 356915As reactantuspto-grants-1998_11

HRID 960350As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1143718As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1383497As productuspto-grants-2001_07

HRID 1383498As reactantuspto-grants-2001_07

HRID 1489697As productuspto-grants-1997_10

HRID 1489698As reactantuspto-grants-1997_10

Compound notes

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