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849110-53-8 | Propanedinitrile, [[4-methoxy-3-[(phenylsulfonyl)oxy]phenyl]methylene]-
CAS No: 849110-53-8 Catalog No: AG004LY7 MDL No:
Product Description
Catalog Number:
AG004LY7
Chemical Name:
Propanedinitrile, [[4-methoxy-3-[(phenylsulfonyl)oxy]phenyl]methylene]-
CAS Number:
849110-53-8
Molecular Formula:
C17H12N2O4S
Molecular Weight:
340.3532
IUPAC Name:
[5-(2,2-dicyanoethenyl)-2-methoxyphenyl] benzenesulfonate
InChI:
InChI=1S/C17H12N2O4S/c1-22-16-8-7-13(9-14(11-18)12-19)10-17(16)23-24(20,21)15-5-3-2-4-6-15/h2-10H,1H3
InChI Key:
WBCSFZRAJSDSBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OS(=O)(=O)c1ccccc1)C=C(C#N)C#N
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.052g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.353g/mol
Monoisotopic Mass:
340.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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