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17285-14-2 | 1-(2-hydroxyethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CAS No: 17285-14-2 Catalog No: AG01C2D1 MDL No:MFCD12186800
Product Description
Catalog Number:
AG01C2D1
Chemical Name:
1-(2-hydroxyethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CAS Number:
17285-14-2
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD12186800
IUPAC Name:
2-(2-hydroxyethyl)-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C6H8N2O3/c9-4-3-8-6(11)2-1-5(10)7-8/h1-2,9H,3-4H2,(H,7,10)
InChI Key:
LQGNTFKZYOFBHK-UHFFFAOYSA-N
SMILES:
OCCn1[nH]c(=O)ccc1=O
NSC Number:
21413
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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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