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14519-31-4 | Cyclododecanol, 1-ethynyl-
CAS No: 14519-31-4 Catalog No: AG001KNK MDL No:
Product Description
Catalog Number:
AG001KNK
Chemical Name:
Cyclododecanol, 1-ethynyl-
CAS Number:
14519-31-4
Molecular Formula:
C14H24O
Molecular Weight:
208.3398
IUPAC Name:
1-ethynylcyclododecan-1-ol
InChI:
InChI=1S/C14H24O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,15H,3-13H2
InChI Key:
DCHDUZYXRMNPCU-UHFFFAOYSA-N
SMILES:
C#CC1(O)CCCCCCCCCCC1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.183g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.345g/mol
Monoisotopic Mass:
208.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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