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20109-09-5 | Cyclohexanol, 1-(2-phenylethynyl)-
CAS No: 20109-09-5 Catalog No: AG002D71 MDL No:
Product Description
Catalog Number:
AG002D71
Chemical Name:
Cyclohexanol, 1-(2-phenylethynyl)-
CAS Number:
20109-09-5
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
1-(2-phenylethynyl)cyclohexan-1-ol
InChI:
InChI=1S/C14H16O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,10-11H2
InChI Key:
LBEMYSKBSYEVAG-UHFFFAOYSA-N
SMILES:
OC1(CCCCC1)C#Cc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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