Methylsuccinic anhydride
PubChem CID: 20051
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| Compound Synonyms | Methylsuccinic anhydride, 4100-80-5, 3-methyldihydrofuran-2,5-dione, 3-methyloxolane-2,5-dione, 3-Methylsuccinic anhydride, Pyrotartaric anhydride, 2,5-Furandione, dihydro-3-methyl-, 2-Methylsuccinic anhydride, Methylsuccinicanhydride, Succinic anhydride, methyl-, PYROTATARIC ANHYDRIDE, EINECS 223-870-5, MFCD00005527, NSC 65437, AI3-11208, CHEBI:87587, DTXSID10871900, 3,4-Dihydro-3-methyl-2,5-furandione, 3-Methyldihydrofuran-2,5-dione, 3-Methyldihydrofuran-2,5-dione, 83247-83-0, 1-Pyrotartaric anhydride, methyl succinic anhydride, methyl-succinic anhydride, 2, dihydro-3-methyl-, methylsuccinic acid anhydride, NCIOpen2_000303, SCHEMBL135300, Methylsuccinic anhydride, 98%, DTXCID60819514, 3-Methyldihydro-2,5-furandione #, 3-Methyltetrahydrofuran-2,5-dione, CS-Z0015, GAA97320, NSC43978, NSC65437, NSC-43978, NSC-65437, AKOS009157111, ANHYDRIDE OF MONOMETHYL SUCCINATE, FM139157, SY113513, DB-013738, DB-049697, NS00048840, EN300-51761, 2-Methylsuccinic anhydride, Methylsuccinic anhydride, Q27159753, 223-870-5 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyloxolane-2,5-dione |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Is Pains | False |
| Molecular Formula | C5H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFATXMYLKPCSCX-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Methylsuccinic anhydride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.032 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 114.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 114.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6167199999999998 |
| Inchi | InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3 |
| Smiles | CC1CC(=O)OC1=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients