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88661-22-7 | Benzenemethanol, 2-hydroxy-3-mercapto-5-(1-methylpropyl)-
CAS No: 88661-22-7 Catalog No: AG0047UZ MDL No:
Product Description
Catalog Number:
AG0047UZ
Chemical Name:
Benzenemethanol, 2-hydroxy-3-mercapto-5-(1-methylpropyl)-
CAS Number:
88661-22-7
Molecular Formula:
C11H16O2S
Molecular Weight:
212.3085
IUPAC Name:
4-butan-2-yl-2-(hydroxymethyl)-6-sulfanylphenol
InChI:
InChI=1S/C11H16O2S/c1-3-7(2)8-4-9(6-12)11(13)10(14)5-8/h4-5,7,12-14H,3,6H2,1-2H3
InChI Key:
KMYSJCWJEXJSRI-UHFFFAOYSA-N
SMILES:
CCC(c1cc(CO)c(c(c1)S)O)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.307g/mol
Monoisotopic Mass:
212.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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