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1199773-11-9 | 1H-Benzimidazole-6-carboxylic acid, 1-ethyl-, methyl ester
CAS No: 1199773-11-9 Catalog No: AG000PWH MDL No:MFCD13195704
Product Description
Catalog Number:
AG000PWH
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 1-ethyl-, methyl ester
CAS Number:
1199773-11-9
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD13195704
IUPAC Name:
methyl 3-ethylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C11H12N2O2/c1-3-13-7-12-9-5-4-8(6-10(9)13)11(14)15-2/h4-7H,3H2,1-2H3
InChI Key:
NIXOFQRQEJNWRB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(CC)cn2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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