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1658-42-0 | 2-Pyridineacetic acid, methyl ester
CAS No: 1658-42-0 Catalog No: AG001WCR MDL No:MFCD00006358
Product Description
Catalog Number:
AG001WCR
Chemical Name:
2-Pyridineacetic acid, methyl ester
CAS Number:
1658-42-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00006358
IUPAC Name:
methyl 2-pyridin-2-ylacetate
InChI:
InChI=1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChI Key:
ORAKNQSHWMHCEY-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccccn1
EC Number:
216-759-8
NSC Number:
72093
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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