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137394-22-0 | Butanenitrile, 3-hydroxy-2,2-dimethyl-, (S)- (9CI)
CAS No: 137394-22-0 Catalog No: AG00138Y MDL No:
Product Description
Catalog Number:
AG00138Y
Chemical Name:
Butanenitrile, 3-hydroxy-2,2-dimethyl-, (S)- (9CI)
CAS Number:
137394-22-0
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
(3S)-3-hydroxy-2,2-dimethylbutanenitrile
InChI:
InChI=1S/C6H11NO/c1-5(8)6(2,3)4-7/h5,8H,1-3H3/t5-/m0/s1
InChI Key:
LNDYIZFLFMYMEO-YFKPBYRVSA-N
SMILES:
C[C@@H](C(C#N)(C)C)O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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