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29767-97-3 | 2-Methyl-4-(pyridin-2-yl);but-3-yn-2-ol
CAS No: 29767-97-3 Catalog No: AG003K0F MDL No:MFCD00168867
Product Description
Catalog Number:
AG003K0F
Chemical Name:
2-Methyl-4-(pyridin-2-yl);but-3-yn-2-ol
CAS Number:
29767-97-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00168867
IUPAC Name:
2-methyl-4-pyridin-2-ylbut-3-yn-2-ol
InChI:
InChI=1S/C10H11NO/c1-10(2,12)7-6-9-5-3-4-8-11-9/h3-5,8,12H,1-2H3
InChI Key:
YBUWIVMOMHEALF-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccccn1)(O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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