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Home > Imidazoles > 512848-73-6
512848-73-6 | 4-Pentenoic acid, 5-(1H-imidazol-4-yl)-3-oxo- (9CI)
CAS No: 512848-73-6 Catalog No: AG00E7R2 MDL No:
Product Description
Catalog Number:
AG00E7R2
Chemical Name:
4-Pentenoic acid, 5-(1H-imidazol-4-yl)-3-oxo- (9CI)
CAS Number:
512848-73-6
IUPAC Name:
5-(1H-imidazol-5-yl)-3-oxopent-4-enoic acid
InChI:
InChI=1S/C8H8N2O3/c11-7(3-8(12)13)2-1-6-4-9-5-10-6/h1-2,4-5H,3H2,(H,9,10)(H,12,13)
InChI Key:
VUSZMGVLWNMIAO-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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