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82885-06-1 | Cyclohexanecarbonitrile, 4-propyl-, trans-
CAS No: 82885-06-1 Catalog No: AG004WFC MDL No:
Product Description
Catalog Number:
AG004WFC
Chemical Name:
Cyclohexanecarbonitrile, 4-propyl-, trans-
CAS Number:
82885-06-1
Molecular Formula:
C10H17N
Molecular Weight:
151.2487
IUPAC Name:
4-propylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C10H17N/c1-2-3-9-4-6-10(8-11)7-5-9/h9-10H,2-7H2,1H3
InChI Key:
AUBWECRXKKSVRV-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)C#N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.253g/mol
Monoisotopic Mass:
151.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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