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101704-18-1 | Cyclopentanol, 1-[(phenylthio)methyl]-
CAS No: 101704-18-1 Catalog No: AG00058W MDL No:
Product Description
Catalog Number:
AG00058W
Chemical Name:
Cyclopentanol, 1-[(phenylthio)methyl]-
CAS Number:
101704-18-1
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
1-(phenylsulfanylmethyl)cyclopentan-1-ol
InChI:
InChI=1S/C12H16OS/c13-12(8-4-5-9-12)10-14-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChI Key:
FOGQCSFEEHTTMV-UHFFFAOYSA-N
SMILES:
OC1(CCCC1)CSc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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