Synonyms
1,3-Dimethyl-1H-Imidazol-3-Ium-2-Carboxylate
IUPAC Name
1,3-dimethylimidazol-1-ium-2-carboxylate
Molecular Weight
140.14
Molecular Formula
C6H8N2O2
Canonical SMILES
CN1C=C[N+](=C1C(=O)[O-])C
InChI
HESZXGSSISDCNI-UHFFFAOYSA-N
InChI Key
InChI=1S/C6H8N2O2/c1-7-3-4-8(2)5(7)6(9)10/h3-4H,1-2H3
Melting Point
221-225 °C
Purity
98%
Appearance
Beige solid
Storage
2-8°C
Complexity
133
Covalently-Bonded Unit Count
1
Exact Mass
140.05900
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
10
Isomeric SMILES
CN1C=C[N+](=C1C(=O)[O-])C
Monoisotopic Mass
140.059g/mol
Topological Polar Surface Area
48.9A^2
