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88661-12-5 | Benzenemethanol, 2-hydroxy-3-mercapto-5-octyl-
CAS No: 88661-12-5 Catalog No: AG0048L7 MDL No:
Product Description
Catalog Number:
AG0048L7
Chemical Name:
Benzenemethanol, 2-hydroxy-3-mercapto-5-octyl-
CAS Number:
88661-12-5
Molecular Formula:
C15H24O2S
Molecular Weight:
268.4149
IUPAC Name:
2-(hydroxymethyl)-4-octyl-6-sulfanylphenol
InChI:
InChI=1S/C15H24O2S/c1-2-3-4-5-6-7-8-12-9-13(11-16)15(17)14(18)10-12/h9-10,16-18H,2-8,11H2,1H3
InChI Key:
SMDUAOFVYGMOFE-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(S)c(c(c1)CO)O
Properties
Complexity:
211
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:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.415g/mol
Monoisotopic Mass:
268.15g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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