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Home > Pyridines > 669708-39-8
669708-39-8 | 2-(benzenesulfonyl)-3-(pyridin-3-yl)prop-2-enenitrile
CAS No: 669708-39-8 Catalog No: AG00IV5J MDL No:MFCD00170401
Product Description
Catalog Number:
AG00IV5J
Chemical Name:
2-(benzenesulfonyl)-3-(pyridin-3-yl)prop-2-enenitrile
CAS Number:
669708-39-8
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
MDL Number:
MFCD00170401
IUPAC Name:
2-(benzenesulfonyl)-3-pyridin-3-ylprop-2-enenitrile
InChI:
InChI=1S/C14H10N2O2S/c15-10-14(9-12-5-4-8-16-11-12)19(17,18)13-6-2-1-3-7-13/h1-9,11H
InChI Key:
NRQRQNPEJRBKDO-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccnc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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