2,3-Dimethylmaleic anhydride
PubChem CID: 13010
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| Compound Synonyms | 2,3-DIMETHYLMALEIC ANHYDRIDE, 766-39-2, 3,4-dimethylfuran-2,5-dione, Dimethylmaleic anhydride, 2,5-Furandione, 3,4-dimethyl-, Pyrocinchonic anhydride, Maleic anhydride, dimethyl-, Dimethylmaleic acid anhydride, NSC 92512, 3,4-Dimethyl-2,5-furandione, HSDB 5517, alpha,beta-Dimethylmaleic anhydride, EINECS 212-165-8, 6PP3N541QA, 3,4-Dimethyl-furan-2,5-dione, MFCD00005523, NSC-92512, DTXSID6061103, dimethyl-2,5-dihydrofuran-2,5-dione, .alpha.,.beta.-Dimethylmaleic anhydride, 2,3-DIMETHYLMALEIC ANHYDRIDE [HSDB], UNII-6PP3N541QA, Dimethyl-maleic anhydride, 2,3-dimethylmalonic anhydride4,4-Dimethyl-2,5-furandion, Dimethylmaleic acid anhydride, Dimethylmaleic Anhydride, NSC 92512, 2, 3,4-dimethyl-, dimethyl maleic anhydride, 4,5-dimethyl-1,3-dioxa-2-oxo-cyclopentene, Maleic anhydride, dimethyl, 2,5Furandione, 3,4dimethyl, SCHEMBL138955, 2,3-dimethyl maleic anhydride, 2,3-dimethyl-maleic anhydride, 2_3_dimethyl_maleic_anhydride, 3,4-dimethyluran-2,5-dione, WLN: T5VOVJ D1 E1, Anhydride of dimethylmaleic acid, 3,4-Dimethyl-2,5-furanedione, CHEMBL2270559, DTXCID5047902, 2,5-furandione, 3,4-dimethyl, alpha,betaDimethylmaleic anhydride, CHEBI:182178, 2,3-Dimethylmaleic acid anhydride, 2,3-dimethyl maleic acid anhydride, NSC92512, STR00830, 2,3-Dimethylmaleic anhydride, 98%, AKOS008901117, AKOS025243217, AC-1533, CS-W016566, FD42376, PS-4164, SY008056, DB-011473, D3473, NS00037820, EN300-54731, Q27265297, 212-165-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C1 |
| Np Classifier Class | Furans |
| Deep Smiles | O=COC=O)C=C5C))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Dihydrofurans |
| Scaffold Graph Node Level | OC1CCC(O)O1 |
| Classyfire Subclass | Furanones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dimethylfuran-2,5-dione |
| Class | Dihydrofurans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Furanones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H6O3 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)O1 |
| Inchi Key | MFGALGYVFGDXIX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-Dimethyl maleic anhydride, DMMA, 2,3-dimethylmaleic anhydride, dimethylmaleic anhydride |
| Esol Class | Very soluble |
| Functional Groups | CC1=C(C)C(=O)OC1=O |
| Compound Name | 2,3-Dimethylmaleic anhydride |
| Kingdom | Organic compounds |
| Exact Mass | 126.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 126.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3 |
| Smiles | CC1=C(C(=O)OC1=O)C |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Butenolides |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700886 - 2. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700625