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114694-23-4 | Cyclopentanol, 1-[2-(phenylthio)ethyl]-
CAS No: 114694-23-4 Catalog No: AG000F20 MDL No:
Product Description
Catalog Number:
AG000F20
Chemical Name:
Cyclopentanol, 1-[2-(phenylthio)ethyl]-
CAS Number:
114694-23-4
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
1-(2-phenylsulfanylethyl)cyclopentan-1-ol
InChI:
InChI=1S/C13H18OS/c14-13(8-4-5-9-13)10-11-15-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChI Key:
KFMVFSHDHPWLTC-UHFFFAOYSA-N
SMILES:
OC1(CCSc2ccccc2)CCCC1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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