| CAS Number | 21788-49-8 |
| Catalog Number | AG007P63(AGN-PC-0O7WHY) |
| Chemical Name | (2E)-Dimethylbut-2-Enedioic Acid |
| IUPAC Name | 2,3-dimethylbut-2-enedioic acid |
| InChI | InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10) |
| InChI Key | CGBYBGVMDAPUIH-UHFFFAOYSA-N |
| MDL Number | MFCD19159881 |
| Molecular Formula | C6H8O4 |
| Molecular Weight | 144.1253 |
| SMILES | C\C(=C(/C(=O)O)\C)\C(=O)O |
| Synonyms | 2,3-dimethylbut-2-enedioic acid,
(2E)-DIMETHYLBUT-2-ENEDIOIC ACID,
21788-49-8,
2-Butenedioic acid,2,3-dimethyl-, (2E)-,
AC1L1UTT,
CTK4E7684,
DTXSID40274506,
Dimethylmaleic acid,
CID10262,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.126g/mol |
| Monoisotopic Mass | 144.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number