200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123086-03-3
123086-03-3 | 4-Hexenal, 4-methyl-6-(phenylsulfonyl)-, (4E)-
CAS No: 123086-03-3 Catalog No: AG000K16 MDL No:
Product Description
Catalog Number:
AG000K16
Chemical Name:
4-Hexenal, 4-methyl-6-(phenylsulfonyl)-, (4E)-
CAS Number:
123086-03-3
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
IUPAC Name:
6-(benzenesulfonyl)-4-methylhex-4-enal
InChI:
InChI=1S/C13H16O3S/c1-12(6-5-10-14)9-11-17(15,16)13-7-3-2-4-8-13/h2-4,7-10H,5-6,11H2,1H3
InChI Key:
YFYJCWOOOUFWSU-UHFFFAOYSA-N
SMILES:
O=CCC/C(=C/CS(=O)(=O)c1ccccc1)/C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.328g/mol
Monoisotopic Mass:
252.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.