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16215-11-5 | Benzene, 1-methyl-4-[[(2E)-3-phenyl-2-propen-1-yl]sulfonyl]-
CAS No: 16215-11-5 Catalog No: AG001STA MDL No:
Product Description
Catalog Number:
AG001STA
Chemical Name:
Benzene, 1-methyl-4-[[(2E)-3-phenyl-2-propen-1-yl]sulfonyl]-
CAS Number:
16215-11-5
Molecular Formula:
C16H16O2S
Molecular Weight:
272.3620
IUPAC Name:
1-methyl-4-(3-phenylprop-2-enylsulfonyl)benzene
InChI:
InChI=1S/C16H16O2S/c1-14-9-11-16(12-10-14)19(17,18)13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChI Key:
YQJJXNLVPNKFCQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C/C=C/c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.362g/mol
Monoisotopic Mass:
272.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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