3-Oxo-3,4-dihydroquinoxaline-6-carboxylic acid
Basic information
- CAS
1375069-41-2- Standard SMILES
O=C(O)c1ccc2ncc(=O)[nH]c2c1- InChIKey
LGEUOBVKRJATPX-UHFFFAOYSA-N- Molecular formula
- C9H6N2O3
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.03784206
Names & identifiers
- Preferred name
- 3-Oxo-3,4-dihydroquinoxaline-6-carboxylic acid
- IUPAC
- 3-oxo-4H-quinoxaline-6-carboxylic acid
- English name
- 3-Oxo-3,4-dihydroquinoxaline-6-carboxylic acid
- Molecular formula
- C9H6N2O3
- Molecular weight
- 190.16
Names & synonyms
1375069-41-23-oxo-3,4-dihydroquinoxaline-6-carboxylic acidDTXSID40744274RefChem:281507DTXCID20695018835-937-1MFCD171709103,4-DIHYDRO-3-OXOQUINOXALINE-6-CARBOXYLIC ACID3-oxo-4H-quinoxaline-6-carboxylic acid6-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo-SCHEMBL27632357SCHEMBL31288468
Show more names
AFC06941SC4304AKOS022061558SY376052DB-347801CS-03091663-oxo-3,4-dihydroquinoxaline-6-carboxylicacidEN300-1644700
Database identifiers
- CAS
1375069-41-2- PubChem CID
- 71296385
- DTXSID
DTXSID40744274- EC Number
- 835-937-1
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.73 · 3.73±0.20(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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