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85351-04-8 | Octanenitrile,3-methyl-
CAS No: 85351-04-8 Catalog No: AG004L7B MDL No:
Product Description
Catalog Number:
AG004L7B
Chemical Name:
Octanenitrile,3-methyl-
CAS Number:
85351-04-8
Molecular Formula:
C9H17N
Molecular Weight:
139.2380
IUPAC Name:
3-methyloctanenitrile
InChI:
InChI=1S/C9H17N/c1-3-4-5-6-9(2)7-8-10/h9H,3-7H2,1-2H3
InChI Key:
BEEDZKVDQYSTPC-UHFFFAOYSA-N
SMILES:
CCCCCC(CC#N)C
EC Number:
286-726-0
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.242g/mol
Monoisotopic Mass:
139.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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