Home Carboxys 4-(ethylsulfanyl)cyclohexane-1-carboxylic acid

4-(ethylsulfanyl)cyclohexane-1-carboxylic acid

CAS No.:
1547588-59-9
Catalog Number:
AG01EK6H
Molecular Formula:
C9H16O2S
Molecular Weight:
188.2871
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Product Description
Catalog Number:
AG01EK6H
Chemical Name:
4-(ethylsulfanyl)cyclohexane-1-carboxylic acid
CAS Number:
1547588-59-9
Molecular Formula:
C9H16O2S
Molecular Weight:
188.2871
MDL Number:
MFCD26739575
IUPAC Name:
4-ethylsulfanylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H16O2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key:
FQQYRTYZYYKJNU-UHFFFAOYSA-N
SMILES:
CCSC1CCC(CC1)C(=O)O
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.087g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.285g/mol
Monoisotopic Mass:
188.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties