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114628-51-2 | 2-Thiophenecarboxylic acid, 3-(1-hydroxycyclohexyl)-
CAS No: 114628-51-2 Catalog No: AG000EUW MDL No:
Product Description
Catalog Number:
AG000EUW
Chemical Name:
2-Thiophenecarboxylic acid, 3-(1-hydroxycyclohexyl)-
CAS Number:
114628-51-2
Molecular Formula:
C11H14O3S
Molecular Weight:
226.2921
IUPAC Name:
3-(1-hydroxycyclohexyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H14O3S/c12-10(13)9-8(4-7-15-9)11(14)5-2-1-3-6-11/h4,7,14H,1-3,5-6H2,(H,12,13)
InChI Key:
YILSNKTUWNXGPE-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1C1(O)CCCCC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.29g/mol
Monoisotopic Mass:
226.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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