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113873-59-9 | Thiophene, 3-(4,8-dimethyl-3,7-nonadien-1-yl)-2,5-dihydro-, 1,1-dioxide
CAS No: 113873-59-9 Catalog No: AG0009Z1 MDL No:
Product Description
Catalog Number:
AG0009Z1
Chemical Name:
Thiophene, 3-(4,8-dimethyl-3,7-nonadien-1-yl)-2,5-dihydro-, 1,1-dioxide
CAS Number:
113873-59-9
Molecular Formula:
C15H24O2S
Molecular Weight:
268.4149
IUPAC Name:
3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide
InChI:
InChI=1S/C15H24O2S/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-18(16,17)12-15/h6,8,10H,4-5,7,9,11-12H2,1-3H3
InChI Key:
KYZTYNDZROBZOQ-UHFFFAOYSA-N
SMILES:
CC(=CCCC1=CCS(=O)(=O)C1)CCC=C(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.415g/mol
Monoisotopic Mass:
268.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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