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89423-39-2 | Benzene, [(1-methoxycyclohexyl)thio]-
CAS No: 89423-39-2 Catalog No: AG0043OT MDL No:
Product Description
Catalog Number:
AG0043OT
Chemical Name:
Benzene, [(1-methoxycyclohexyl)thio]-
CAS Number:
89423-39-2
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
(1-methoxycyclohexyl)sulfanylbenzene
InChI:
InChI=1S/C13H18OS/c1-14-13(10-6-3-7-11-13)15-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChI Key:
LTTVSXQPFVEJJQ-UHFFFAOYSA-N
SMILES:
COC1(CCCCC1)Sc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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