Propanoic acid, 2-((3-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-, methyl ester
Basic information
- CAS
131814-59-0- Standard SMILES
COC(=O)C(C)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1- InChIKey
YOQRWJNZODQXJM-UHFFFAOYSA-N- Molecular formula
- C19H15FO5
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.09035174
Names & identifiers
- Preferred name
- Propanoic acid, 2-((3-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-, methyl ester
- IUPAC
- methyl 2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxypropanoate
Names & synonyms
BRN 4763955131814-59-0Propanoic acid, 2-((3-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-, methyl esterRefChem:374649Methyl 2-((3-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)propanoateMethyl 2-{[3-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoateDTXSID50927359
Database identifiers
- CAS
131814-59-0- PubChem CID
- 3076535
- DTXSID
DTXSID50927359
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
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Compound notes
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