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88661-33-0 | Phenol, 4-cyclopentyl-2-mercapto-
CAS No: 88661-33-0 Catalog No: AG0048L1 MDL No:
Product Description
Catalog Number:
AG0048L1
Chemical Name:
Phenol, 4-cyclopentyl-2-mercapto-
CAS Number:
88661-33-0
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
4-cyclopentyl-2-sulfanylphenol
InChI:
InChI=1S/C11H14OS/c12-10-6-5-9(7-11(10)13)8-3-1-2-4-8/h5-8,12-13H,1-4H2
InChI Key:
URKFWTHPDNCWLH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1S)C1CCCC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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