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88626-48-6 | Benzene, [[1-(1-propenyl)-2-pentenyl]sulfonyl]-
CAS No: 88626-48-6 Catalog No: AG004AJO MDL No:
Product Description
Catalog Number:
AG004AJO
Chemical Name:
Benzene, [[1-(1-propenyl)-2-pentenyl]sulfonyl]-
CAS Number:
88626-48-6
Molecular Formula:
C14H18O2S
Molecular Weight:
250.3565
IUPAC Name:
octa-2,5-dien-4-ylsulfonylbenzene
InChI:
InChI=1S/C14H18O2S/c1-3-5-10-13(9-4-2)17(15,16)14-11-7-6-8-12-14/h4-13H,3H2,1-2H3
InChI Key:
HOLXMVQXIVCECH-UHFFFAOYSA-N
SMILES:
CCC=CC(S(=O)(=O)c1ccccc1)C=CC
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.356g/mol
Monoisotopic Mass:
250.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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