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Home > Pyridines > 897296-66-1
897296-66-1 | (2E)-2-(4-methylbenzenesulfonyl)-3-(pyridin-3-yl)prop-2-enenitrile
CAS No: 897296-66-1 Catalog No: AG00ITFA MDL No:MFCD00129593
Product Description
Catalog Number:
AG00ITFA
Chemical Name:
(2E)-2-(4-methylbenzenesulfonyl)-3-(pyridin-3-yl)prop-2-enenitrile
CAS Number:
897296-66-1
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
MDL Number:
MFCD00129593
IUPAC Name:
2-(4-methylphenyl)sulfonyl-3-pyridin-3-ylprop-2-enenitrile
InChI:
InChI=1S/C15H12N2O2S/c1-12-4-6-14(7-5-12)20(18,19)15(10-16)9-13-3-2-8-17-11-13/h2-9,11H,1H3
InChI Key:
DQICACAYOYNJIG-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1cccnc1)/S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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