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114501-82-5 | Benzene, [(6-methoxy-1-cyclohexen-1-yl)thio]-
CAS No: 114501-82-5 Catalog No: AG000ELS MDL No:
Product Description
Catalog Number:
AG000ELS
Chemical Name:
Benzene, [(6-methoxy-1-cyclohexen-1-yl)thio]-
CAS Number:
114501-82-5
Molecular Formula:
C13H16OS
Molecular Weight:
220.3305
IUPAC Name:
(6-methoxycyclohexen-1-yl)sulfanylbenzene
InChI:
InChI=1S/C13H16OS/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChI Key:
XKCWMXZMOKZYFR-UHFFFAOYSA-N
SMILES:
COC1CCCC=C1Sc1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.33g/mol
Monoisotopic Mass:
220.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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