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208772-14-9 | 1H-Benzimidazole-7-carboxylic acid, 2-methyl-, methyl ester
CAS No: 208772-14-9 Catalog No: AG002JVX MDL No:MFCD18251682
Product Description
Catalog Number:
AG002JVX
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 2-methyl-, methyl ester
CAS Number:
208772-14-9
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD18251682
IUPAC Name:
methyl 2-methyl-1H-benzimidazole-4-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-6-11-8-5-3-4-7(9(8)12-6)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
NYWNVKDIUUSMIT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1[nH]c(n2)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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