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164223-26-1 | Butanedioic acid, 2-(2-methyl-1H-imidazol-1-yl)-, 1,4-diethyl ester
CAS No: 164223-26-1 Catalog No: AG001UQ3 MDL No:
Product Description
Catalog Number:
AG001UQ3
Chemical Name:
Butanedioic acid, 2-(2-methyl-1H-imidazol-1-yl)-, 1,4-diethyl ester
CAS Number:
164223-26-1
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
IUPAC Name:
diethyl 2-(2-methylimidazol-1-yl)butanedioate
InChI:
InChI=1S/C12H18N2O4/c1-4-17-11(15)8-10(12(16)18-5-2)14-7-6-13-9(14)3/h6-7,10H,4-5,8H2,1-3H3
InChI Key:
QSDLQWUFBNMKDJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(n1ccnc1C)C(=O)OCC
Properties
Complexity:
296
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:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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