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Home > Imidazoles > 85464-72-8
85464-72-8 | 2-Butenoic acid, 4-oxo-4-(2-oxo-1-imidazolidinyl)-, (Z)-
CAS No: 85464-72-8 Catalog No: AG004SAT MDL No:
Product Description
Catalog Number:
AG004SAT
Chemical Name:
2-Butenoic acid, 4-oxo-4-(2-oxo-1-imidazolidinyl)-, (Z)-
CAS Number:
85464-72-8
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
IUPAC Name:
4-oxo-4-(2-oxoimidazolidin-1-yl)but-2-enoic acid
InChI:
InChI=1S/C7H8N2O4/c10-5(1-2-6(11)12)9-4-3-8-7(9)13/h1-2H,3-4H2,(H,8,13)(H,11,12)
InChI Key:
KMLUDWVHGPIMBA-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)N1CCNC1=O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.1
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