6-Hydroxy-3-pyridazinecarboxylic acid monohydrate
Grundinformationen
- CAS
306934-80-5- Standard-SMILES
O.O=C(O)c1ccc(=O)[nH]n1- InChIKey
DZCBVXKRERSHAA-UHFFFAOYSA-N- Summenformel
- C5H6N2O4
- Durchschnittliche Molmasse
- 158,11 g/mol
- Monoisotopische Masse
- 158,03275667
Überblick
See also: 6-Hydroxypyridazine-3-carboxylic Acid (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxy-3-pyridazinecarboxylic acid monohydrate
- IUPAC
- 6-oxo-1H-pyridazine-3-carboxylic acid;hydrate
- Englischer Name
- 6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate
- Summenformel
- C5H6N2O4
- Molmasse
- 158.11
Namen und Synonyme
306934-80-56-HYDROXY-3-PYRIDAZINECARBOXYLIC ACID MONOHYDRATE6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate6-Hydroxypyridazine-3-carboxylic acid hydrateMFCD092587876-oxo-1H-pyridazine-3-carboxylic acid;hydrate6-Hydroxypyridazine-3-carboxylic Acid Monohydrate1,6-Dihydro-6-oxopyridazine-3-carboxylic acid monohydrate6-oxohydropyridazine-3-carboxylic acid, hydrate6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-, monohydrateSCHEMBL938505
Weitere Namen anzeigen
3-Carboxy-1,6-dihydro-6-oxopyridazine monohydrate6-Hydroxypyridazine-3-carboxylicAcidMonohydrate>6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate3-Pyridazinecarboxylicacid, 1,6-dihydro-6-oxo-, hydrate (1:1)3-Pyridazinecarboxylicacid,1,6-dihydro-6-oxo-,monohydrate(9CI)
SCHEMBL2130375DTXSID90379151DZCBVXKRERSHAA-UHFFFAOYSA-N6-Oxo-1,6-dihydro-3-pyridazinecarboxylic acid hydrate (1:1)STR06357MFCD02090600SBB053229AKOS015903798
Datenbank-Bezeichner
- CAS
306934-80-5- PubChem CID
- 2774651
- DTXSID
DTXSID90379151
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 79,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 241
Physikochemische Eigenschaften
- Schmelzpunkt
- 265 °C · 265°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Dimethylformamide
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- InChI
- 1S/C5H4N2O3.H2O/c8-4-2-1-3(5(9)10)6-7-4;/h1-2H,(H,7,8)(H,9,10);1H2
- InChIKey
- DZCBVXKRERSHAA-UHFFFAOYSA-N
- SMILES
- O.OC(=O)C1=NNC(=O)C=C1
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
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