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115122-63-9 | 1H-Cyclopenta[b]pyridine-3-carboxylic acid, 2,5,6,7-tetrahydro-2-oxo-
CAS No: 115122-63-9 Catalog No: AG000GBH MDL No:MFCD07801152
Product Description
Catalog Number:
AG000GBH
Chemical Name:
1H-Cyclopenta[b]pyridine-3-carboxylic acid, 2,5,6,7-tetrahydro-2-oxo-
CAS Number:
115122-63-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD07801152
IUPAC Name:
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c11-8-6(9(12)13)4-5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChI Key:
GOBCNYSBQFAPOI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2CCCc2[nH]c1=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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