C1=CC=C2C(=C1)C(=CC(=O)O2)O
CAS: 1076-38-6
Name: 4-hydroxychromen-2-one
SMILES: C1=CC=C2C(=C1)C(=CC(=O)O2)O

Molecular Processing

Molecular formula
C9H6O3
Molecular weight
162.14
Exact mass
162.0317
XLogP
1.5
TPSA
50.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
44.15

Supplementary Information

InChIKey: VXIXUWQIVKSKSA-UHFFFAOYSA-N
Synonyme
4-Hydroxycoumarin1076-38-64-CoumarinolBenzotetronic acid4-hydroxychromen-2-oneCoumarin, 4-hydroxy-4-Hydroxy-2H-1-benzopyran-2-one2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-4-hydroxy-2-chromenoneX954ZLL2RDDTXSID80614724-hydroxy-2H-benzo[b]pyran-2-oneNSC-11889CHEBI:400704-hydroxy-2H-benzo(b)pyran-2-one4-OH coumarinRefChem:388756DTXCID1033086214-060-24-Hydroxy-2H-chromen-2-one4-Hydroxy coumarin4-Hydroxy-chromen-2-oneMFCD000068564-HydroxycoumarineCOUMARINOLWarfarin sodium EP Impurity BCHEMBL30114122105-09-5NSC118894-HYDROXYCOUMARINS
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