(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid - CAS 121073-74-3
Catalog: |
BB005029 |
Product Name: |
(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid |
CAS: |
121073-74-3 |
Synonyms: |
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid |
IUPAC Name: | 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid |
Description: | (3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid (CAS# 121073-74-3) is a useful research chemical. |
Molecular Weight: | 170.12 |
Molecular Formula: | C6H6N2O4 |
Canonical SMILES: | C1=C(C(=O)NNC1=O)CC(=O)O |
InChI: | InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)6(12)8-7-4/h1H,2H2,(H,7,9)(H,8,12)(H,10,11) |
InChI Key: | MIXPCRZDRIRXJD-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.479 g/cm3 |
MDL: | MFCD00297121 |
LogP: | -1.30970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2005995-A1 | Heterocyclic compounds for the treatment of tuberculosis | 20070622 |
EP-2167196-A1 | Heterocyclic compounds for the treatment of tuberculosis | 20070622 |
US-2010184751-A1 | Heterocyclic compounds for the treatment of tuberculosis | 20070622 |
WO-2009000745-A1 | Heterocyclic compounds for the treatment of tuberculosis | 20070622 |
EP-1980251-A1 | Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis | 20070413 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03275668 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.5 |
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