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14368-30-0 | Pentanenitrile, 3-hydroxy-3-methyl-
CAS No: 14368-30-0 Catalog No: AG001I65 MDL No:
Product Description
Catalog Number:
AG001I65
Chemical Name:
Pentanenitrile, 3-hydroxy-3-methyl-
CAS Number:
14368-30-0
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
3-hydroxy-3-methylpentanenitrile
InChI:
InChI=1S/C6H11NO/c1-3-6(2,8)4-5-7/h8H,3-4H2,1-2H3
InChI Key:
ONLWETYEQPSHET-UHFFFAOYSA-N
SMILES:
CC(CC)(CC#N)O
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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