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198987-23-4 | 6,8-Dodecadien-5-ol, 7-[(4-methylphenyl)sulfonyl]-, (5R,6E,8E)-
CAS No: 198987-23-4 Catalog No: AG002BUT MDL No:
Product Description
Catalog Number:
AG002BUT
Chemical Name:
6,8-Dodecadien-5-ol, 7-[(4-methylphenyl)sulfonyl]-, (5R,6E,8E)-
CAS Number:
198987-23-4
Molecular Formula:
C19H28O3S
Molecular Weight:
336.4888
IUPAC Name:
(5R)-7-(4-methylphenyl)sulfonyldodeca-6,8-dien-5-ol
InChI:
InChI=1S/C19H28O3S/c1-4-6-8-10-19(15-17(20)9-7-5-2)23(21,22)18-13-11-16(3)12-14-18/h8,10-15,17,20H,4-7,9H2,1-3H3/t17-/m1/s1
InChI Key:
WMHROUDMXDSYHU-QGZVFWFLSA-N
SMILES:
CCC/C=C/C(=C\[C@@H](CCCC)O)/S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.176g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.49g/mol
Monoisotopic Mass:
336.176g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.8
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