200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 168431-27-4
168431-27-4 | Benzene, [[[(1S,2E)-1-methyl-3-(phenylsulfonyl)-2-propen-1-yl]oxy]methyl]-
CAS No: 168431-27-4 Catalog No: AG001Y2J MDL No:
Product Description
Catalog Number:
AG001Y2J
Chemical Name:
Benzene, [[[(1S,2E)-1-methyl-3-(phenylsulfonyl)-2-propen-1-yl]oxy]methyl]-
CAS Number:
168431-27-4
Molecular Formula:
C17H18O3S
Molecular Weight:
302.3880
IUPAC Name:
[(2S)-4-(benzenesulfonyl)but-3-en-2-yl]oxymethylbenzene
InChI:
InChI=1S/C17H18O3S/c1-15(20-14-16-8-4-2-5-9-16)12-13-21(18,19)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3/t15-/m0/s1
InChI Key:
DUUPSGVKWVOIJG-HNNXBMFYSA-N
SMILES:
C[C@@H](/C=C/S(=O)(=O)c1ccccc1)OCc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
302.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.388g/mol
Monoisotopic Mass:
302.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.