Basic information
- Standard SMILES
O=C(O)Cn1c(=O)c(=O)[nH]c2ccccc21- InChIKey
QBBQRMYAQGDFQB-UHFFFAOYSA-N- Molecular formula
- C10H8N2O4
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.04840674
Names & identifiers
- Preferred name
- 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid
- IUPAC
- 2-(2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
Names & synonyms
80310-03-82-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)acetic acid1-carboxymethyl-1,4-dihydro-2,3-quinoxalinedioneSCHEMBL4704936SCHEMBL8555900SCHEMBL31653996QBBQRMYAQGDFQB-UHFFFAOYSA-NDTXSID901229387AT28058CS-02493811-carboxymethylquinoxaline-2,3(1H,4H)-dione
Show more names
EN300-433271-carboxymethylquinoxaline-2,3(1H,4H)- dione2-(2,3-dioxo-4H-quinoxalin-1-yl)acetic acidAB00999778-011-carboxymethyl-1,4-dihydroquinoxaline-2,3-dionen-carboxymethyl-1,4-dihydroquinoxaline-2,3-dione3,4-Dihydro-2,3-dioxo-1(2H)-quinoxalineacetic acid(2,3-Dioxo-3,4-dihydroquinoxalin-1(2H)-yl)acetic acid
Database identifiers
- CAS
80310-03-8- PubChem CID
- 12938664
- DTXSID
DTXSID901229387
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
15 records
Linked notes
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