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143839-26-3 | Butanenitrile, 3-hydroxy-4-oxo-, (S)- (9CI)
CAS No: 143839-26-3 Catalog No: AG001IGW MDL No:
Product Description
Catalog Number:
AG001IGW
Chemical Name:
Butanenitrile, 3-hydroxy-4-oxo-, (S)- (9CI)
CAS Number:
143839-26-3
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
IUPAC Name:
(3S)-3-hydroxy-4-oxobutanenitrile
InChI:
InChI=1S/C4H5NO2/c5-2-1-4(7)3-6/h3-4,7H,1H2/t4-/m0/s1
InChI Key:
ONRIKNNRMOMYDP-BYPYZUCNSA-N
SMILES:
O[C@H](C=O)CC#N
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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