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25947-11-9 | 3,4-Dihydro-4-oxophthalazine-1-acetic acid
CAS No: 25947-11-9 Catalog No: AG002R5Y MDL No:MFCD00085017
Product Description
Catalog Number:
AG002R5Y
Chemical Name:
3,4-Dihydro-4-oxophthalazine-1-acetic acid
CAS Number:
25947-11-9
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD00085017
IUPAC Name:
2-(4-oxo-3H-phthalazin-1-yl)acetic acid
InChI:
InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)
InChI Key:
ZEDQLIHBPGNGEC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1n[nH]c(=O)c2c1cccc2
NSC Number:
408027
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^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 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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