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115835-54-6 | 1H-Imidazole-5-carboxylic acid, 4-methyl-2-(3-pyridinyl)-, ethyl ester
CAS No: 115835-54-6 Catalog No: AG000GXG MDL No:
Product Description
Catalog Number:
AG000GXG
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-methyl-2-(3-pyridinyl)-, ethyl ester
CAS Number:
115835-54-6
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
ethyl 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C12H13N3O2/c1-3-17-12(16)10-8(2)14-11(15-10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3,(H,14,15)
InChI Key:
SJIFSJWQMPXNKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(nc1C)c1cccnc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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