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131020-50-3 | 1H-Benzimidazole-6-carboxylic acid, 1-methyl-, methyl ester
CAS No: 131020-50-3 Catalog No: AG000VCC MDL No:MFCD11973677
Product Description
Catalog Number:
AG000VCC
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 1-methyl-, methyl ester
CAS Number:
131020-50-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD11973677
IUPAC Name:
methyl 3-methylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-12-6-11-8-4-3-7(5-9(8)12)10(13)14-2/h3-6H,1-2H3
InChI Key:
SQVPAFJTHBHULZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(C)cn2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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