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123689-95-2 | Butanenitrile, 3-hydroxy-, (3S)-
CAS No: 123689-95-2 Catalog No: AG000KYI MDL No:MFCD07367002
Product Description
Catalog Number:
AG000KYI
Chemical Name:
Butanenitrile, 3-hydroxy-, (3S)-
CAS Number:
123689-95-2
Molecular Formula:
C4H7NO
Molecular Weight:
85.1045
MDL Number:
MFCD07367002
IUPAC Name:
(3S)-3-hydroxybutanenitrile
InChI:
InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m0/s1
InChI Key:
BYJAJQGCMSBKPB-BYPYZUCNSA-N
SMILES:
C[C@@H](CC#N)O
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
85.053g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
85.106g/mol
Monoisotopic Mass:
85.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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