Basic information
- CAS
72698-24-9- Standard SMILES
O=C(O)c1cc(C(=O)O)oc(=O)c1- InChIKey
VRMXCPVFSJVVCA-UHFFFAOYSA-N- Molecular formula
- C7H4O6
- Average molar mass
- 184.1 g/mol
- Monoisotopic mass
- 184.00078784
Overview
2-oxo-2H-pyran-4,6-dicarboxylic acid is a pyrandicarboxylic acid. It is a conjugate acid of a 2-oxo-2H-pyran-4,6-dicarboxylate.
Names & identifiers
- Preferred name
- alpha-Pyrone-4,6-dicarboxylic acid
- IUPAC
- 6-oxopyran-2,4-dicarboxylic acid
- English name
- alpha-pyrone-4,6-dicarboxylic acid
- Molecular formula
- C7H4O6
- Molecular weight
- 184.1
Names & synonyms
72698-24-92-pyrone-4,6-dicarboxylic acidalpha-pyrone-4,6-dicarboxylic acid2H-Pyran-4,6-dicarboxylic acid, 2-oxo-DTXSID50222997RefChem:915569DTXCID801454882-oxo-2H-pyran-4,6-dicarboxylic acid6-oxopyran-2,4-dicarboxylic acidMFCD000944546-Oxo-6H-pyran-2,4-dicarboxylic acidC03671
Show more names
2H-Pyran-4,6-dicarboxylicacid, 2-oxo-
pyrone-4,6-dicarboxylic acidSCHEMBL1843937CHEBI:178722-oxo-2H-pyran-4,6-dicarboxylicacidSY408828H20154Q271026820GZ
Database identifiers
- CAS
72698-24-9- PubChem CID
- 372
- DTXSID
DTXSID50222997- ChEBI
CHEBI:17872- Nikkaji
- J1.089.989C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 355.5 · 355.5±42.0 °C(Predicted)
- Density
- 1.821 · 1.821±0.06 g/cm3(Predicted)
- pka
- 1.54 · 1.54±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
韶远科技(上海)有限公司4000665055 · [email protected]
四川义研药物研究有限公司19949968070; 19949968070 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Additional notes
DefinitionChEBI: 2-oxo-2H-pyran-4,6-dicarboxylic acid is a pyrandicarboxylic acid. It is a conjugate acid of a 2-oxo-2H-pyran-4,6-dicarboxylate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…