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35969-54-1 | 2-Ethoxynicotinic acid
CAS No: 35969-54-1 Catalog No: AG003H6J MDL No:MFCD00128788
Product Description
Catalog Number:
AG003H6J
Chemical Name:
2-Ethoxynicotinic acid
CAS Number:
35969-54-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00128788
IUPAC Name:
2-ethoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
XCMJQQOMGWGGSI-UHFFFAOYSA-N
SMILES:
CCOc1ncccc1C(=O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^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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