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86653-04-5 | 1-Dodecanol, 2-[(4-methylphenyl)sulfonyl]-
CAS No: 86653-04-5 Catalog No: AG004TXV MDL No:
Product Description
Catalog Number:
AG004TXV
Chemical Name:
1-Dodecanol, 2-[(4-methylphenyl)sulfonyl]-
CAS Number:
86653-04-5
Molecular Formula:
C19H32O3S
Molecular Weight:
340.5206
IUPAC Name:
2-(4-methylphenyl)sulfonyldodecan-1-ol
InChI:
InChI=1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-19(16-20)23(21,22)18-14-12-17(2)13-15-18/h12-15,19-20H,3-11,16H2,1-2H3
InChI Key:
JPIJPAKPVFHAKQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(S(=O)(=O)c1ccc(cc1)C)CO
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.207g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.522g/mol
Monoisotopic Mass:
340.207g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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