Basic information
- CAS
860708-13-0- Standard SMILES
COC(=O)C(O)C(O)C(=O)O- InChIKey
GBJFSZCDZHSAOP-UHFFFAOYSA-N- Molecular formula
- C5H8O6
- Average molar mass
- 164.11 g/mol
- Monoisotopic mass
- 164.03208797
Names & identifiers
- Preferred name
- 2,3-Dihydroxy-4-methoxy-4-oxobutanoic acid
- IUPAC
- 2,3-dihydroxy-4-methoxy-4-oxobutanoic acid
Names & synonyms
2,3-dihydroxy-4-methoxy-4-oxobutanoic acid860708-13-0DTXSID701333190RefChem:442413DTXCID70990626816-639-0WeinsauremethylesterTartaric Acid Impurity N1SCHEMBL516220DAA33346KJB70813AKOS026727091
Show more names
2,3-dihydroxy-4-methoxy-4-oxobutanoicacidEN300-124044Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, monomethyl ester
Database identifiers
- CAS
860708-13-0- PubChem CID
- 413694
- DTXSID
DTXSID701333190- EC Number
- 816-639-0
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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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