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129200-96-0 | 2-Propenenitrile, 3-phenyl-2-(phenylsulfonyl)-, (2E)-
CAS No: 129200-96-0 Catalog No: AG000YY8 MDL No:
Product Description
Catalog Number:
AG000YY8
Chemical Name:
2-Propenenitrile, 3-phenyl-2-(phenylsulfonyl)-, (2E)-
CAS Number:
129200-96-0
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
2-(benzenesulfonyl)-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C15H11NO2S/c16-12-15(11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14/h1-11H
InChI Key:
DUYMQMOILXJIET-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccccc1)/S(=O)(=O)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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