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16610-80-3 | Benzeneacetonitrile, α-(phenylmethylene)-, (αE)-
CAS No: 16610-80-3 Catalog No: AG001WI8 MDL No:MFCD00068935
Product Description
Catalog Number:
AG001WI8
Chemical Name:
Benzeneacetonitrile, α-(phenylmethylene)-, (αE)-
CAS Number:
16610-80-3
Molecular Formula:
C15H11N
Molecular Weight:
205.2545
MDL Number:
MFCD00068935
IUPAC Name:
(E)-2,3-diphenylprop-2-enenitrile
InChI:
InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11-
InChI Key:
VFOKYTYWXOYPOX-PTNGSMBKSA-N
SMILES:
N#C/C(=C/c1ccccc1)/c1ccccc1
EC Number:
219-726-6
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
205.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.26g/mol
Monoisotopic Mass:
205.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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