2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid

HCID 12938664CAS 80310-03-8

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

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Related reactions

15 records

Linked notes

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