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158959-36-5 | Benzene, 1-methyl-4-[2-[4-(methylsulfonyl)phenyl]-1-cyclopenten-1-yl]-
CAS No: 158959-36-5 Catalog No: AG001R1S MDL No:
Product Description
Catalog Number:
AG001R1S
Chemical Name:
Benzene, 1-methyl-4-[2-[4-(methylsulfonyl)phenyl]-1-cyclopenten-1-yl]-
CAS Number:
158959-36-5
Molecular Formula:
C19H20O2S
Molecular Weight:
312.4259
IUPAC Name:
1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
InChI:
InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(2,20)21/h6-13H,3-5H2,1-2H3
InChI Key:
DFLFDHXLMTYYEI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.427g/mol
Monoisotopic Mass:
312.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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