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136584-14-0 | 2-Quinoxalineacetic acid, 1,2,3,4-tetrahydro-3-oxo-
CAS No: 136584-14-0 Catalog No: AG00123Z MDL No:MFCD00219236
Product Description
Catalog Number:
AG00123Z
Chemical Name:
2-Quinoxalineacetic acid, 1,2,3,4-tetrahydro-3-oxo-
CAS Number:
136584-14-0
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD00219236
IUPAC Name:
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid
InChI:
InChI=1S/C10H10N2O3/c13-9(14)5-8-10(15)12-7-4-2-1-3-6(7)11-8/h1-4,8,11H,5H2,(H,12,15)(H,13,14)
InChI Key:
UCNFCRXGPQHQBE-UHFFFAOYSA-N
SMILES:
OC(=O)CC1Nc2ccccc2NC1=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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