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247128-20-7 | 1H-Benzimidazole-6-carboxylic acid, 2-(hydroxymethyl)-
CAS No: 247128-20-7 Catalog No: AG002P60 MDL No:MFCD00809931
Product Description
Catalog Number:
AG002P60
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 2-(hydroxymethyl)-
CAS Number:
247128-20-7
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD00809931
IUPAC Name:
2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c12-4-8-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,12H,4H2,(H,10,11)(H,13,14)
InChI Key:
LIBZUTVUUNNXNP-UHFFFAOYSA-N
SMILES:
OCc1nc2c([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:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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