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88220-79-5 | 2-Benzofurancarboxylic acid, 5-methoxy-4-nitro-
CAS No: 88220-79-5 Catalog No: AG004BAK MDL No:
Product Description
Catalog Number:
AG004BAK
Chemical Name:
2-Benzofurancarboxylic acid, 5-methoxy-4-nitro-
CAS Number:
88220-79-5
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
IUPAC Name:
5-methoxy-4-nitro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H7NO6/c1-16-7-3-2-6-5(9(7)11(14)15)4-8(17-6)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
YRXDIAYVPGUSGF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])cc(o2)C(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.167g/mol
Monoisotopic Mass:
237.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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