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5768-10-5 | 1,4-BIS(1-HYDROXYCYCLOHEXYL)-1,3-BUTADIYNE
CAS No: 5768-10-5 Catalog No: AG003DMK MDL No:
Product Description
Catalog Number:
AG003DMK
Chemical Name:
1,4-BIS(1-HYDROXYCYCLOHEXYL)-1,3-BUTADIYNE
CAS Number:
5768-10-5
IUPAC Name:
1-[4-(1-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-ol
InChI:
InChI=1S/C16H22O2/c17-15(9-3-1-4-10-15)13-7-8-14-16(18)11-5-2-6-12-16/h17-18H,1-6,9-12H2
InChI Key:
KJOFBMLTQUHDCL-UHFFFAOYSA-N
UNII:
H52T9NIS3Q
NSC Number:
407601
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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