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101704-20-5 | Cycloheptanol, 1-[(phenylthio)methyl]-
CAS No: 101704-20-5 Catalog No: AG00058V MDL No:
Product Description
Catalog Number:
AG00058V
Chemical Name:
Cycloheptanol, 1-[(phenylthio)methyl]-
CAS Number:
101704-20-5
Molecular Formula:
C14H20OS
Molecular Weight:
236.3730
IUPAC Name:
1-(phenylsulfanylmethyl)cycloheptan-1-ol
InChI:
InChI=1S/C14H20OS/c15-14(10-6-1-2-7-11-14)12-16-13-8-4-3-5-9-13/h3-5,8-9,15H,1-2,6-7,10-12H2
InChI Key:
QXADFVHTJSOBLT-UHFFFAOYSA-N
SMILES:
OC1(CCCCCC1)CSc1ccccc1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.373g/mol
Monoisotopic Mass:
236.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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