Home Nitriles 5-hydroxy-4,4-dimethylvaleronitrile

5-hydroxy-4,4-dimethylvaleronitrile

CAS No.:
25252-68-0
Catalog Number:
AG00BUIC
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG00BUIC
Chemical Name:
5-hydroxy-4,4-dimethylvaleronitrile
CAS Number:
25252-68-0
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD11499290
IUPAC Name:
5-hydroxy-4,4-dimethylpentanenitrile
InChI:
InChI=1S/C7H13NO/c1-7(2,6-9)4-3-5-8/h9H,3-4,6H2,1-2H3
InChI Key:
LPRMANDJSIXLBP-UHFFFAOYSA-N
SMILES:
OCC(CCC#N)(C)C
EC Number:
246-760-9
Properties
Complexity:
120  
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:
3  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties