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89293-57-2 | Propanenitrile, 2-(octahydro-2(1H)-naphthalenylidene)-
CAS No: 89293-57-2 Catalog No: AG004061 MDL No:
Product Description
Catalog Number:
AG004061
Chemical Name:
Propanenitrile, 2-(octahydro-2(1H)-naphthalenylidene)-
CAS Number:
89293-57-2
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene)propanenitrile
InChI:
InChI=1S/C13H19N/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h11,13H,2-8H2,1H3
InChI Key:
VCOUYPIXIVJBHS-UHFFFAOYSA-N
SMILES:
N#CC(=C1CCC2C(C1)CCCC2)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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