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73383-04-7 | Hexanenitrile, 3-propyl-
CAS No: 73383-04-7 Catalog No: AG005EJ6 MDL No:
Product Description
Catalog Number:
AG005EJ6
Chemical Name:
Hexanenitrile, 3-propyl-
CAS Number:
73383-04-7
Molecular Formula:
C9H17N
Molecular Weight:
139.2380
IUPAC Name:
3-propylhexanenitrile
InChI:
InChI=1S/C9H17N/c1-3-5-9(6-4-2)7-8-10/h9H,3-7H2,1-2H3
InChI Key:
NNTXKLUPOCEAEX-UHFFFAOYSA-N
SMILES:
CCCC(CC#N)CCC
Properties
Complexity:
103
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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