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89473-49-4 | 4,7-Tridecadienenitrile, (Z,E)-
CAS No: 89473-49-4 Catalog No: AG00426R MDL No:
Product Description
Catalog Number:
AG00426R
Chemical Name:
4,7-Tridecadienenitrile, (Z,E)-
CAS Number:
89473-49-4
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
IUPAC Name:
trideca-4,7-dienenitrile
InChI:
InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-10H,2-5,8,11-12H2,1H3
InChI Key:
GOJHHQPIADVAPR-UHFFFAOYSA-N
SMILES:
CCCCC/C=C/C/C=C\CCC#N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.2
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