Citraconic Anhydrides
PubChem CID: 12012
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| Compound Synonyms | Citraconic anhydride, 616-02-4, 3-methylfuran-2,5-dione, 2,5-Furandione, 3-methyl-, 2-Methylmaleic anhydride, METHYLMALEIC ANHYDRIDE, 3-Methylmaleic anhydride, Citraconic acid anhydride, Monomethylmaleic anhydride, Maleic anhydride, methyl-, 3-methyl-2,5-dihydrofuran-2,5-dione, Citraconic Anhydrides, NSC 6182, 2,5-Furanedione, 3-methyl, MFCD00005522, 3-Methyl-2,5-furandione, 105NP7PMXX, Anhydrid kyseliny citrakonove, .alpha.-Methylmaleic anhydride, NSC-6182, 3-methyl-furan-2,5-dione, NSC6182, 3-METHYL-2,5-FURANDIONE,, Anhydride, Citraconic, Anhydrides, Citraconic, HSDB 5716, Methylmaleic Anhydrides, Anhydrides, Methylmaleic, 2 Methylmaleic Anhydride, EINECS 210-459-0, Anhydrid kyseliny citrakonove [Czech], Anhydride, 2-Methylmaleic, UNII-105NP7PMXX, BRN 0001835, AI3-10030, alpha-Methylmaleic anhydride, EC 210-459-0, WLN: T5VOVJ D1, Citraconic anhydride, 98%, methyl-maleic acid anhydride, 3-methyl-2,5-pentanedione, SCHEMBL20026, 5-17-11-00065 (Beilstein Handbook Reference), CHEMBL398893, DTXSID8060660, BBL011623, METHYLMALEIC ANHYDRIDE [HSDB], STL163343, AKOS000121230, AKOS025243211, FC47323, PS-5441, BP-30185, HY-78035, DB-053945, CS-0007668, M0365, NS00003965, EN300-18020, A833323, 2-Methylmaleic anhydride, 3-Methyl-2,5-pentanedione, Q26840748, F1908-0144, InChI=1/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H, 210-459-0 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Compound Name | Citraconic Anhydrides |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.016 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 112.08 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylfuran-2,5-dione |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -0.6924207999999998 |
| Inchi | InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3 |
| Smiles | CC1=CC(=O)OC1=O |
| Xlogp | 0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C5H4O3 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients