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17340-16-8 | 1H-Imidazole-4-propanoic acid, 4,5-dihydro-5-oxo-
CAS No: 17340-16-8 Catalog No: AG001YVI MDL No:
Product Description
Catalog Number:
AG001YVI
Chemical Name:
1H-Imidazole-4-propanoic acid, 4,5-dihydro-5-oxo-
CAS Number:
17340-16-8
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid
InChI:
InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)
InChI Key:
HEXMLHKQVUFYME-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1N=CNC1=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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