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158008-69-6 | Butanamide, 4-cyano-3-hydroxy-
CAS No: 158008-69-6 Catalog No: AG001PWR MDL No:MFCD02262051
Product Description
Catalog Number:
AG001PWR
Chemical Name:
Butanamide, 4-cyano-3-hydroxy-
CAS Number:
158008-69-6
Molecular Formula:
C5H8N2O2
Molecular Weight:
128.1292
MDL Number:
MFCD02262051
IUPAC Name:
4-cyano-3-hydroxybutanamide
InChI:
InChI=1S/C5H8N2O2/c6-2-1-4(8)3-5(7)9/h4,8H,1,3H2,(H2,7,9)
InChI Key:
JGNICYPMHKZAGS-UHFFFAOYSA-N
SMILES:
N#CCC(CC(=O)N)O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.131g/mol
Monoisotopic Mass:
128.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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