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80310-02-7 | 2-(3-Oxo-3,4-dihydroquinoxalin-1(2H)-yl)acetic acid
CAS No: 80310-02-7 Catalog No: AG0053NN MDL No:MFCD00612487
Product Description
Catalog Number:
AG0053NN
Chemical Name:
2-(3-Oxo-3,4-dihydroquinoxalin-1(2H)-yl)acetic acid
CAS Number:
80310-02-7
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD00612487
IUPAC Name:
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
InChI:
InChI=1S/C10H10N2O3/c13-9-5-12(6-10(14)15)8-4-2-1-3-7(8)11-9/h1-4H,5-6H2,(H,11,13)(H,14,15)
InChI Key:
SXJZOGPXQRFWSC-UHFFFAOYSA-N
SMILES:
O=C1CN(CC(=O)O)c2c(N1)cccc2
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:
2
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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