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157356-73-5 | 1H-Imidazole-5-carboxylic acid, 4-(1-methylethenyl)-2-propyl-, ethyl ester
CAS No: 157356-73-5 Catalog No: AG003AO6 MDL No:
Product Description
Catalog Number:
AG003AO6
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-(1-methylethenyl)-2-propyl-, ethyl ester
CAS Number:
157356-73-5
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
ethyl 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylate
InChI:
InChI=1S/C12H18N2O2/c1-5-7-9-13-10(8(3)4)11(14-9)12(15)16-6-2/h3,5-7H2,1-2,4H3,(H,13,14)
InChI Key:
IEJYWOUUSSOSKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(nc1C(=C)C)CCC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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