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146234-46-0 | Butanedioic acid, 1H-imidazol-1-yl-, 4-ethyl ester
CAS No: 146234-46-0 Catalog No: AG007YH7 MDL No:
Product Description
Catalog Number:
AG007YH7
Chemical Name:
Butanedioic acid, 1H-imidazol-1-yl-, 4-ethyl ester
CAS Number:
146234-46-0
Molecular Formula:
C9H11N2O4-
Molecular Weight:
211.1946
IUPAC Name:
4-ethoxy-2-imidazol-1-yl-4-oxobutanoate
InChI:
InChI=1S/C9H12N2O4/c1-2-15-8(12)5-7(9(13)14)11-4-3-10-6-11/h3-4,6-7H,2,5H2,1H3,(H,13,14)/p-1
InChI Key:
DLINPSNOSPZFDW-UHFFFAOYSA-M
SMILES:
CCOC(=O)CC(n1cncc1)C(=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.072g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.197g/mol
Monoisotopic Mass:
211.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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