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88661-13-6 | Benzenemethanol, 5-dodecyl-2-hydroxy-3-mercapto-
CAS No: 88661-13-6 Catalog No: AG0048I6 MDL No:
Product Description
Catalog Number:
AG0048I6
Chemical Name:
Benzenemethanol, 5-dodecyl-2-hydroxy-3-mercapto-
CAS Number:
88661-13-6
Molecular Formula:
C19H32O2S
Molecular Weight:
324.5212
IUPAC Name:
4-dodecyl-2-(hydroxymethyl)-6-sulfanylphenol
InChI:
InChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-17(15-20)19(21)18(22)14-16/h13-14,20-22H,2-12,15H2,1H3
InChI Key:
KPWAOIFRNRXWGY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1cc(S)c(c(c1)CO)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.212g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.523g/mol
Monoisotopic Mass:
324.212g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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