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19950-97-1 | 1H-Benzimidazole-5-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-
CAS No: 19950-97-1 Catalog No: AG002C5V MDL No:MFCD11131632
Product Description
Catalog Number:
AG002C5V
Chemical Name:
1H-Benzimidazole-5-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-
CAS Number:
19950-97-1
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD11131632
IUPAC Name:
1-methyl-2-oxo-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-11-7-3-2-5(8(12)13)4-6(7)10-9(11)14/h2-4H,1H3,(H,10,14)(H,12,13)
InChI Key:
NXLLJAFDWSUDJZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]c(=O)n2C
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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