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88220-81-9 | 2-Benzofurancarboxylic acid, 6-methoxy-7-nitro-
CAS No: 88220-81-9 Catalog No: AG004DF1 MDL No:
Product Description
Catalog Number:
AG004DF1
Chemical Name:
2-Benzofurancarboxylic acid, 6-methoxy-7-nitro-
CAS Number:
88220-81-9
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
IUPAC Name:
6-methoxy-7-nitro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H7NO6/c1-16-6-3-2-5-4-7(10(12)13)17-9(5)8(6)11(14)15/h2-4H,1H3,(H,12,13)
InChI Key:
OLRYDHRNUFENGT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])oc(c2)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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