Basic information
- CAS
14121-55-2- Standard SMILES
O=C(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1- InChIKey
YGJDUUUPLPMKSN-UHFFFAOYSA-N- Molecular formula
- C9H6N2O4
- Average molar mass
- 206.15 g/mol
- Monoisotopic mass
- 206.03275667
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid
- IUPAC
- 2,3-dioxo-1,4-dihydroquinoxaline-6-carboxylic acid
- English name
- 1,2,3,4-tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid
- Molecular formula
- C9H6N2O4
- Molecular weight
- 206.15
Names & synonyms
14121-55-21,2,3,4-Tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid2,3-dioxo-1,4-dihydroquinoxaline-6-carboxylic acid9UAG2SL9CTEINECS 237-975-96-Quinoxalinecarboxylic acid, 1,2,3,4-tetrahydro-2,3-dioxo-NSC-2111212,3-dihydroxy-6-quinoxalinecarboxylic acid2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-carboxylic acidDTXSID80161603NSC 2111211,2,3,4-TETRAHYDRO-2,3-DIOXO-6-QUINOXALINECARBOXYLIC ACID
Show more names
1,2,3,4-Tetrahydro-2,3-dioxochinoxalin-6-carbonsure6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2,3-dioxo-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid(SALTDATA: H2O)
6-QUINOXALINECARBOXYLIC ACID, 2,3-DIHYDROXY-RefChem:71303DTXCID2084094237-975-92,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid2,3-dihydroxyquinoxaline-6-carboxylic acidMFCD00907425NSC211121
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C9H6N2O4/c12-7-8(13)11-6-3-4(9(14)15)1-2-5(6)10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)
- InChIKey
- YGJDUUUPLPMKSN-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(C(O)=O)C=C2)NC(=O)C1=O
- FDA UNII
- 9 UAG2SL9CT · 9UAG2SL9CT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
This chemical does not meet GHS hazard criteria for 90.9% (10 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers26 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海九芳科技有限公司021-61150629 15921749159 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
济南碳泉新材料有限公司13658618215
北京汇科盈生物科技有限公司15210661751 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
1 records
Compound notes
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