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886509-83-7 | 4-(1-Hydroxy-cyclohexylethynyl)-benzaldehyde
CAS No: 886509-83-7 Catalog No: AG01EYHP MDL No:
Product Description
Catalog Number:
AG01EYHP
Chemical Name:
4-(1-Hydroxy-cyclohexylethynyl)-benzaldehyde
CAS Number:
886509-83-7
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
4-[2-(1-hydroxycyclohexyl)ethynyl]benzaldehyde
InChI:
InChI=1S/C15H16O2/c16-12-14-6-4-13(5-7-14)8-11-15(17)9-2-1-3-10-15/h4-7,12,17H,1-3,9-10H2
InChI Key:
MAGSLXVYIGICJZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)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:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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