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100298-31-5

100298-31-5 | 2-Cyclopenten-1-one, 2-[(4-methylphenyl)sulfonyl]-

CAS No: 100298-31-5 Catalog No: AG0001HC MDL No:

Product Description

Catalog Number:
AG0001HC
Chemical Name:
2-Cyclopenten-1-one, 2-[(4-methylphenyl)sulfonyl]-
CAS Number:
100298-31-5
Molecular Formula:
C12H12O3S
Molecular Weight:
236.2869
IUPAC Name:
2-(4-methylphenyl)sulfonylcyclopent-2-en-1-one
InChI:
InChI=1S/C12H12O3S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h4-8H,2-3H2,1H3
InChI Key:
KSDZUVSZYLBWME-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C1=CCCC1=O

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.285g/mol
Monoisotopic Mass:
236.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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