4-(((3,4-Dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid
Basic information
- CAS
376374-73-1- Standard SMILES
Cc1c(C)c2ccc(OCc3ccc(C(=O)O)cc3)cc2oc1=O- InChIKey
JLRVZPQTERQQAA-UHFFFAOYSA-N- Molecular formula
- C19H16O5
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.09977361
Names & identifiers
- Preferred name
- 4-(((3,4-Dimethyl-2-oxo-2H-chromen-7-YL)oxy)methyl)benzoic acid
- IUPAC
- 4-[(3,4-dimethyl-2-oxochromen-7-yl)oxymethyl]benzoic acid
- English name
- 4-(((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)methyl)benzoic acid
- Molecular formula
- C19H16O5
- Molecular weight
- 324.33
Names & synonyms
4-(((3,4-DIMETHYL-2-OXO-2H-CHROMEN-7-YL)OXY)METHYL)BENZOIC ACID4-{[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acidOprea1_528636Oprea1_744756STL522288AKOS001656209Benzoic acid, 4-[[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-
Database identifiers
- CAS
376374-73-1- PubChem CID
- 854095
- EC Number
- 143-986-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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