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88456-22-8 | Pentanenitrile, 2-(1-methyl-2-oxoethyl)-
CAS No: 88456-22-8 Catalog No: AG004IMW MDL No:
Product Description
Catalog Number:
AG004IMW
Chemical Name:
Pentanenitrile, 2-(1-methyl-2-oxoethyl)-
CAS Number:
88456-22-8
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
2-(1-oxopropan-2-yl)pentanenitrile
InChI:
InChI=1S/C8H13NO/c1-3-4-8(5-9)7(2)6-10/h6-8H,3-4H2,1-2H3
InChI Key:
GJVFTXDZGUZACK-UHFFFAOYSA-N
SMILES:
CC(C(C#N)CCC)C=O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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