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139294-23-8 | 2-Cyclohexen-1-ol, 5,5-dimethyl-2-[(phenylthio)methyl]-
CAS No: 139294-23-8 Catalog No: AG001AOT MDL No:
Product Description
Catalog Number:
AG001AOT
Chemical Name:
2-Cyclohexen-1-ol, 5,5-dimethyl-2-[(phenylthio)methyl]-
CAS Number:
139294-23-8
Molecular Formula:
C15H20OS
Molecular Weight:
248.3837
IUPAC Name:
5,5-dimethyl-2-(phenylsulfanylmethyl)cyclohex-2-en-1-ol
InChI:
InChI=1S/C15H20OS/c1-15(2)9-8-12(14(16)10-15)11-17-13-6-4-3-5-7-13/h3-8,14,16H,9-11H2,1-2H3
InChI Key:
GALGSUQLASKTMY-UHFFFAOYSA-N
SMILES:
OC1CC(C)(C)CC=C1CSc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.384g/mol
Monoisotopic Mass:
248.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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