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886509-79-1 | 5-(1-Hydroxy-cyclohexylethynyl)-thiophene-2-carbaldehyde
CAS No: 886509-79-1 Catalog No: AG01EYHO MDL No:
Product Description
Catalog Number:
AG01EYHO
Chemical Name:
5-(1-Hydroxy-cyclohexylethynyl)-thiophene-2-carbaldehyde
CAS Number:
886509-79-1
Molecular Formula:
C13H14O2S
Molecular Weight:
234.3141
IUPAC Name:
5-[2-(1-hydroxycyclohexyl)ethynyl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C13H14O2S/c14-10-12-5-4-11(16-12)6-9-13(15)7-2-1-3-8-13/h4-5,10,15H,1-3,7-8H2
InChI Key:
QHBNCKKGYSSDOX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)C#CC1(O)CCCCC1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.313g/mol
Monoisotopic Mass:
234.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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