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87145-71-9 | 5-Benzofurancarboxylic acid, 6-formyl-4,7-dihydroxy-, methyl ester
CAS No: 87145-71-9 Catalog No: AG004OEU MDL No:
Product Description
Catalog Number:
AG004OEU
Chemical Name:
5-Benzofurancarboxylic acid, 6-formyl-4,7-dihydroxy-, methyl ester
CAS Number:
87145-71-9
Molecular Formula:
C11H8O6
Molecular Weight:
236.1776
IUPAC Name:
methyl 6-formyl-4,7-dihydroxy-1-benzofuran-5-carboxylate
InChI:
InChI=1S/C11H8O6/c1-16-11(15)7-6(4-12)9(14)10-5(8(7)13)2-3-17-10/h2-4,13-14H,1H3
InChI Key:
GXVOXDYCVSTZKS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C=O)c(O)c2c(c1O)cco2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.179g/mol
Monoisotopic Mass:
236.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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