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87995-29-7 | 5-Hexenenitrile, 3-(2-phenylethenyl)-
CAS No: 87995-29-7 Catalog No: AG004L5D MDL No:
Product Description
Catalog Number:
AG004L5D
Chemical Name:
5-Hexenenitrile, 3-(2-phenylethenyl)-
CAS Number:
87995-29-7
Molecular Formula:
C14H15N
Molecular Weight:
197.2756
IUPAC Name:
3-(2-phenylethenyl)hex-5-enenitrile
InChI:
InChI=1S/C14H15N/c1-2-6-13(11-12-15)9-10-14-7-4-3-5-8-14/h2-5,7-10,13H,1,6,11H2
InChI Key:
AXZBVCAPWWCCDY-UHFFFAOYSA-N
SMILES:
C=CCC(C=Cc1ccccc1)CC#N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.281g/mol
Monoisotopic Mass:
197.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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