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84319-91-5 | Benzene, 1-methyl-4-[[3-methyl-1-(phenylmethyl)-2-butenyl]sulfonyl]-
CAS No: 84319-91-5 Catalog No: AG004T91 MDL No:
Product Description
Catalog Number:
AG004T91
Chemical Name:
Benzene, 1-methyl-4-[[3-methyl-1-(phenylmethyl)-2-butenyl]sulfonyl]-
CAS Number:
84319-91-5
Molecular Formula:
C19H22O2S
Molecular Weight:
314.4418
IUPAC Name:
1-methyl-4-(4-methyl-1-phenylpent-3-en-2-yl)sulfonylbenzene
InChI:
InChI=1S/C19H22O2S/c1-15(2)13-19(14-17-7-5-4-6-8-17)22(20,21)18-11-9-16(3)10-12-18/h4-13,19H,14H2,1-3H3
InChI Key:
QFROPVRODKOHHB-UHFFFAOYSA-N
SMILES:
CC(=CC(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.443g/mol
Monoisotopic Mass:
314.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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