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118160-44-4 | 2-(Phenylsulfonyl)-1,3-cycloheptadiene
CAS No: 118160-44-4 Catalog No: AG003F40 MDL No:
Product Description
Catalog Number:
AG003F40
Chemical Name:
2-(Phenylsulfonyl)-1,3-cycloheptadiene
CAS Number:
118160-44-4
IUPAC Name:
2-(benzenesulfonyl)cyclohepta-1,3-diene
InChI:
InChI=1S/C13H14O2S/c14-16(15,13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h3-4,6-11H,1-2,5H2
InChI Key:
JBFCGKYPRPLNFA-UHFFFAOYSA-N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.313g/mol
Monoisotopic Mass:
234.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Economical and environmentally friendly syntheses of 2-(phenylsulfonyl)-1,3-cyclohexadiene and 2-(phenylsulfonyl)-1,3-cycloheptadiene. | The Journal of organic chemistry 20020111 |
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