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1646-28-2 | 2-Benzofurancarboxylic acid, 5-hydroxy-, methyl ester
CAS No: 1646-28-2 Catalog No: AG001UZB MDL No:MFCD13192384
Product Description
Catalog Number:
AG001UZB
Chemical Name:
2-Benzofurancarboxylic acid, 5-hydroxy-, methyl ester
CAS Number:
1646-28-2
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD13192384
IUPAC Name:
methyl 5-hydroxy-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C10H8O4/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5,11H,1H3
InChI Key:
KPSJSEXMKPMEAM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(o1)ccc(c2)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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