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29082-91-5 | 2-Pyridinecarboxylic acid, 4-methoxy-
CAS No: 29082-91-5 Catalog No: AG002XA6 MDL No:MFCD04115716
Product Description
Catalog Number:
AG002XA6
Chemical Name:
2-Pyridinecarboxylic acid, 4-methoxy-
CAS Number:
29082-91-5
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD04115716
IUPAC Name:
4-methoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10)
InChI Key:
UELRAKDBDJRXST-UHFFFAOYSA-N
SMILES:
COc1ccnc(c1)C(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^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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