Home Nitriles 4-hydroxy-2,2-dimethylpentanenitrile

4-hydroxy-2,2-dimethylpentanenitrile

CAS No.:
86242-55-9
Catalog Number:
AG01C6G4
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG01C6G4
Chemical Name:
4-hydroxy-2,2-dimethylpentanenitrile
CAS Number:
86242-55-9
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD21184635
IUPAC Name:
4-hydroxy-2,2-dimethylpentanenitrile
InChI:
InChI=1S/C7H13NO/c1-6(9)4-7(2,3)5-8/h6,9H,4H2,1-3H3
InChI Key:
XQECPPLLPQLGBZ-UHFFFAOYSA-N
SMILES:
CC(CC(C#N)(C)C)O
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties