CAS 142054-74-8 6-Ethoxypyridazine-3-carboxylic acid (HCID 33675835)

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Basic information

CAS: 142054-74-8
Standard SMILES: CCOc1ccc(C(=O)O)nn1
InChIKey: HMNDGPIMVAZVTF-UHFFFAOYSA-N
Molecular formula: C7H8N2O3
Average molar mass: 168.15 g/mol
Monoisotopic mass: 168.05349212

Names & identifiers

Preferred name: 6-Ethoxypyridazine-3-carboxylic acid
IUPAC: 6-ethoxypyridazine-3-carboxylic acid
English name: 3-Pyridazinecarboxylicacid,6-ethoxy-(9CI)
Molecular formula: C7H8N2O3
Molecular weight: 168.15

Names & synonyms

6-ethoxypyridazine-3-carboxylic acid142054-74-8MFCD121525893-Pyridazinecarboxylic acid, 6-ethoxy-3-Pyridazinecarboxylicacid,6-ethoxy-(9CI)3-Pyridazinecarboxylicacid, 6-ethoxy-SCHEMBL1403622DTXSID50652790HMNDGPIMVAZVTF-UHFFFAOYSA-N6-Ethoxypyridazine-3-carboxylicacid6-ethoxy-pyridazine-3-carboxylic acidAKOS005208515

Show more names

BS-51380SY304924DB-100602E84163EN300-236490F4950066-ethoxypyridazine-3-carboxylic acid - [E82813]F1967-0116

Database identifiers

CAS: 142054-74-8
PubChem CID: 33675835
DTXSID: DTXSID50652790

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 72.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 397.2 · 397.2±22.0 °C(Predicted)
Density: 1.304 · 1.304±0.06 g/cm3(Predicted)
pka: 4.12 · 4.12±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501