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141037-51-6 | Cyclopentanone, 2-(1-hydroxyhexyl)-4-(phenylthio)-
CAS No: 141037-51-6 Catalog No: AG001FRF MDL No:
Product Description
Catalog Number:
AG001FRF
Chemical Name:
Cyclopentanone, 2-(1-hydroxyhexyl)-4-(phenylthio)-
CAS Number:
141037-51-6
Molecular Formula:
C17H24O2S
Molecular Weight:
292.4363
IUPAC Name:
2-(1-hydroxyhexyl)-4-phenylsulfanylcyclopentan-1-one
InChI:
InChI=1S/C17H24O2S/c1-2-3-5-10-16(18)15-11-14(12-17(15)19)20-13-8-6-4-7-9-13/h4,6-9,14-16,18H,2-3,5,10-12H2,1H3
InChI Key:
BEPRHVYPLLSTCF-UHFFFAOYSA-N
SMILES:
CCCCCC(C1CC(CC1=O)Sc1ccccc1)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.15g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.437g/mol
Monoisotopic Mass:
292.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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