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1150102-58-1 | 1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-oxo-
CAS No: 1150102-58-1 Catalog No: AG000FM1 MDL No:MFCD20660300
Product Description
Catalog Number:
AG000FM1
Chemical Name:
1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-oxo-
CAS Number:
1150102-58-1
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD20660300
IUPAC Name:
3-methyl-2-oxo-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-11-7-5(8(12)13)3-2-4-6(7)10-9(11)14/h2-4H,1H3,(H,10,14)(H,12,13)
InChI Key:
MNYCZJWCVWYGEI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1n(C)c(=O)[nH]2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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