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Itaconic Anhydride

PubChem CID: 75110

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Compound Synonyms Itaconic anhydride, 2170-03-8, 3-methylideneoxolane-2,5-dione, Itaconic acid anhydride, Methylenesuccinic anhydride, 2,5-Furandione, dihydro-3-methylene-, 2-Methylenesuccinic anhydride, Dihydro-3-methylene-2,5-furandione, Succinic anhydride, methylene-, 3-methylenedihydrofuran-2,5-dione, MFCD00005530, Y455KS1U7Q, ITACONIC-ANHYDRIDE, NSC-43979, UNII-Y455KS1U7Q, CHEMBL87967, 25300-97-4, DTXSID8062230, EINECS 218-518-2, NSC 43979, 3-Methylene-dihydro-furan-2,5-dione, 3-METHYLIDENEDIHYDROFURAN-2,5-DIONE, 3-Methylenedihydro-2,5-furandione, 3,4-Dihydro-3-methylene-2,5-furandione, Itaconic anhydride, 95%, 2, dihydro-3-methylene-, SCHEMBL25233, Succinic anhydride, methylene, Dihydro3methylene2,5furandione, DTXCID2036538, 2,5Furandione, dihydro3methylene, NSC43972, NSC43979, BDBM50108508, NSC-43972, 3-Methylenedihydro-2,5-furandione #, 3-methylenetetrahydrofuran-2,5-dione, AKOS015900399, FI29334, GS-3259, 3-methylene-tetrahydro-furan-2,5-dione, SY009111, DB-045673, CS-0073152, I0203, NS00026942, EN300-99171, A20230, H10043, Q15726050, F0001-0774, 3,4-Dihydro-3-methylene-2,5-furandione, Methylenesuccinic anhydride, 218-518-2, Benzoyl chloride, 2-chloro-5-nitro-, 2-Chloro-5-Nitrobenzoyl, 2-Chloro-5-nitrobenzoic acid chloride
Topological Polar Surface Area 43.4
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 8.0
Isotope Atom Count 0.0
Molecular Complexity 169.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P49356, P53609, n.a.
Iupac Name 3-methylideneoxolane-2,5-dione
Prediction Hob 1.0
Xlogp 0.2
Molecular Formula C5H4O3
Prediction Swissadme 0.0
Inchi Key OFNISBHGPNMTMS-UHFFFAOYSA-N
Fcsp3 0.2
Logs -0.116
Rotatable Bond Count 0.0
Logd 0.953
Compound Name Itaconic Anhydride
Prediction Hob Swissadme 0.0
Exact Mass 112.016
Formal Charge 0.0
Monoisotopic Mass 112.016
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 112.08
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -0.6420208
Inchi InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
Smiles C=C1CC(=O)OC1=O
Nring 1.0
Defined Bond Stereocenter Count 0.0