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Home > Other Heterocycles > 19817-07-3
19817-07-3 | 1-Azabicyclo[2.2.2]octan-3-ol, 3-ethynyl-
CAS No: 19817-07-3 Catalog No: AG002BCF MDL No:MFCD13181574
Product Description
Catalog Number:
AG002BCF
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-ol, 3-ethynyl-
CAS Number:
19817-07-3
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD13181574
IUPAC Name:
3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C9H13NO/c1-2-9(11)7-10-5-3-8(9)4-6-10/h1,8,11H,3-7H2
InChI Key:
YRTHQTAVIFQEEG-UHFFFAOYSA-N
SMILES:
C#CC1(O)CN2CCC1CC2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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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