Basic information
- CAS
1948-82-9- Standard SMILES
O=C(O)CC(C(=O)O)C(=O)C(=O)O- InChIKey
UFSCUAXLTRFIDC-UHFFFAOYSA-N- Molecular formula
- C6H6O7
- Average molar mass
- 190.11 g/mol
- Monoisotopic mass
- 190.01135253
Overview
Oxalosuccinic acid is a tricarboxylic acid consisting of 2-oxoglutaric acid having a further carboxy group at the 3-position. It is a substrate of the citric acid cycle. It has a role as a fundamental metabolite. It is functionally related to a 2-oxoglutaric acid. It is a conjugate acid of an oxalatosuccinate(3-).
Names & identifiers
- Preferred name
- Oxalosuccinic acid
- IUPAC
- 1-oxopropane-1,2,3-tricarboxylic acid
Names & synonyms
Oxalosuccinic acid1-oxopropane-1,2,3-tricarboxylic acid1948-82-9UNII-DFK99PW32KOxalbernsteinsaeureDFK99PW32KCHEBI:78151,2,3-PROPANETRICARBOXYLIC ACID, 1-OXO-RefChem:168807(+-)-OXALOSUCCINIC ACIDOXALOSUCCINIC ACID, (+-)-oxalosuccinate
Show more names
bmse000251SCHEMBL1052505DTXSID30862799(+/-)-OXALOSUCCINIC ACIDOXALOSUCCINIC ACID, (+/-)-C05379Q424172
Database identifiers
- CAS
1948-82-9- PubChem CID
- 972
- DTXSID
DTXSID30862799- ChEBI
CHEBI:7815- UNII
- DFK99PW32K
- EC Number
- 803-196-3
- Nikkaji
- J13.032J
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 266
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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