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1368310-81-9 | 1H-Benzimidazole-6-carboxylic acid, 2-(methylamino)-
CAS No: 1368310-81-9 Catalog No: AG0012F9 MDL No:MFCD24502732
Product Description
Catalog Number:
AG0012F9
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 2-(methylamino)-
CAS Number:
1368310-81-9
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD24502732
IUPAC Name:
2-(methylamino)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C9H9N3O2/c1-10-9-11-6-3-2-5(8(13)14)4-7(6)12-9/h2-4H,1H3,(H,13,14)(H2,10,11,12)
InChI Key:
STZFNUKQFCVIQM-UHFFFAOYSA-N
SMILES:
CNc1nc2c([nH]1)cc(cc2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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