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144690-07-3 | 1H-Imidazole-5-carboxylic acid, 4-acetyl-2-propyl-, ethyl ester
CAS No: 144690-07-3 Catalog No: AG001K08 MDL No:
Product Description
Catalog Number:
AG001K08
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-acetyl-2-propyl-, ethyl ester
CAS Number:
144690-07-3
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
ethyl 4-acetyl-2-propyl-1H-imidazole-5-carboxylate
InChI:
InChI=1S/C11H16N2O3/c1-4-6-8-12-9(7(3)14)10(13-8)11(15)16-5-2/h4-6H2,1-3H3,(H,12,13)
InChI Key:
VZPSJLSTXDBKLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(nc1C(=O)C)CCC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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