Basic information
- CAS
21788-49-8- Standard SMILES
CC(C(=O)O)=C(C)C(=O)O- InChIKey
CGBYBGVMDAPUIH-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Names & identifiers
- Preferred name
- 2,3-Dimethylbut-2-enedioic acid
- IUPAC
- 2,3-dimethylbut-2-enedioic acid
- English name
- Nsc174100
- Molecular formula
- C6H8O4
- Molecular weight
- 144.13
Names & synonyms
2,3-dimethylbut-2-enedioic acid2-Butenedioic acid,2,3-dimethyl-, (2E)-SCHEMBL105999DTXSID40274506WAA78849Nsc1741002,3-Dimethylfumaric acid2,3-dimethyl-2-butenedioic acid(2E)-Dimethylbut-2-enedioic acid(2E) - Dimethylbutan-2-enedioic acid
Database identifiers
- CAS
21788-49-8- PubChem CID
- 10262
- DTXSID
DTXSID40274506
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 240 · 240-241 °C
- Boiling point
- 340.4 · 340.4±25.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 3.89 · 3.89±0.44(Predicted)
- FDA UNII
- 8 FG19GP · VBQ8FG19GP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H319-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers9 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
吉林中科研伸科技有限公司0431-80534350 15044023330 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
河南卓凡化工有限公司15638881523 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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