COC(=O)C1=CC2=C(O1)C=CC(=C2)O
CAS: 1646-28-2
Name: methyl 5-hydroxy-1-benzofuran-2-carboxylate
SMILES: COC(=O)C1=CC2=C(O1)C=CC(=C2)O

Molecular Processing

Molecular formula
C10H8O4
Molecular weight
192.17
Exact mass
192.0423
XLogP
1.92
TPSA
59.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
49.22

Supplementary Information

InChIKey: KPSJSEXMKPMEAM-UHFFFAOYSA-N
Synonyme
1646-28-2Methyl 5-hydroxybenzofuran-2-carboxylateMethyl 5-hydroxy-1-benzofuran-2-carboxylate2-Benzofurancarboxylic acid, 5-hydroxy-, methyl esterMFCD131923845-Hydroxy-2-benzofurancarboxylic acid methyl ester5-Hydroxy-benzofuran-2-carboxylic acid methyl ester5-hydroxybenzofuran-2-carboxylic acid methyl esterSCHEMBL445684DTXSID40480529KPSJSEXMKPMEAM-UHFFFAOYSA-N2-carbomethoxy-5-hydroxy-benzofuranAKOS022183757Methyl5-hydroxybenzofuran-2-carboxylateAS-53607DB-358997P16754
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