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10351-76-5 | 1H-Benzimidazole-5-carboxylicacid,6-methyl-(9CI)
CAS No: 10351-76-5 Catalog No: AG003EDE MDL No:
Product Description
Catalog Number:
AG003EDE
Chemical Name:
1H-Benzimidazole-5-carboxylicacid,6-methyl-(9CI)
CAS Number:
10351-76-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
6-methyl-1H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-7-8(11-4-10-7)3-6(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
ZHZZGQXASQPFLC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]cnc2cc1C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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