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83022-85-9 | Cyclopropaneethanol, 1-(phenylthio)-
CAS No: 83022-85-9 Catalog No: AG004YEX MDL No:
Product Description
Catalog Number:
AG004YEX
Chemical Name:
Cyclopropaneethanol, 1-(phenylthio)-
CAS Number:
83022-85-9
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
2-(1-phenylsulfanylcyclopropyl)ethanol
InChI:
InChI=1S/C11H14OS/c12-9-8-11(6-7-11)13-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChI Key:
MYGZPKIWQJZTPH-UHFFFAOYSA-N
SMILES:
OCCC1(CC1)Sc1ccccc1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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