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87977-34-2 | 2-Benzofurancarboxylic acid, 3-methyl-5-nitro-
CAS No: 87977-34-2 Catalog No: AG004LMI MDL No:
Product Description
Catalog Number:
AG004LMI
Chemical Name:
2-Benzofurancarboxylic acid, 3-methyl-5-nitro-
CAS Number:
87977-34-2
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
IUPAC Name:
3-methyl-5-nitro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H7NO5/c1-5-7-4-6(11(14)15)2-3-8(7)16-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
BFOGZBLYCKTATH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(C)c(o2)C(=O)O
NSC Number:
624898
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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