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144369-21-1 | 1H-Imidazole-1,3(2H)-dicarboxylic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS No: 144369-21-1 Catalog No: AG001JF7 MDL No:
Product Description
Catalog Number:
AG001JF7
Chemical Name:
1H-Imidazole-1,3(2H)-dicarboxylic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS Number:
144369-21-1
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
IUPAC Name:
diethyl 2-prop-2-enyl-2H-imidazole-1,3-dicarboxylate
InChI:
InChI=1S/C12H18N2O4/c1-4-7-10-13(11(15)17-5-2)8-9-14(10)12(16)18-6-3/h4,8-10H,1,5-7H2,2-3H3
InChI Key:
XKSRPVZXSGYREN-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1C=CN(C1CC=C)C(=O)OCC
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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