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129024-41-5 | Butanamide, N-(2-cyanoethyl)-4-hydroxy-3,3-dimethyl-2-oxo-
CAS No: 129024-41-5 Catalog No: AG000YSY MDL No:
Product Description
Catalog Number:
AG000YSY
Chemical Name:
Butanamide, N-(2-cyanoethyl)-4-hydroxy-3,3-dimethyl-2-oxo-
CAS Number:
129024-41-5
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
N-(2-cyanoethyl)-4-hydroxy-3,3-dimethyl-2-oxobutanamide
InChI:
InChI=1S/C9H14N2O3/c1-9(2,6-12)7(13)8(14)11-5-3-4-10/h12H,3,5-6H2,1-2H3,(H,11,14)
InChI Key:
TUNCONIKHGGVSB-UHFFFAOYSA-N
SMILES:
OCC(C(=O)C(=O)NCCC#N)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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