Home Carboxys 5-cyclohexylthiophene-3-carboxylic acid

5-cyclohexylthiophene-3-carboxylic acid

CAS No.:
13191-44-1
Catalog Number:
AG01C9MG
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
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Product Description
Catalog Number:
AG01C9MG
Chemical Name:
5-cyclohexylthiophene-3-carboxylic acid
CAS Number:
13191-44-1
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD24482022
IUPAC Name:
5-cyclohexylthiophene-3-carboxylic acid
InChI:
InChI=1S/C11H14O2S/c12-11(13)9-6-10(14-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChI Key:
IXCCTDMPNWUNBK-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(c1)C1CCCCC1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties