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Phthalic anhydride

PubChem CID: 6811

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Compound Synonyms PHTHALIC ANHYDRIDE, 85-44-9, Isobenzofuran-1,3-dione, 1,3-Isobenzofurandione, 2-Benzofuran-1,3-dione, 1,3-Dioxophthalan, 1,3-Phthalandione, Phthalsaeureanhydrid, o-Phthalic acid anhydride, Phthalic acid anhydride, Phthalandione, Retarder esen, Retarder AK, Retarder PD, Vulkalent B/C, Anidride ftalica, ESEN, Ftalowy bezwodnik, Ftaalzuuranhydride, Anhydride phtalique, Ftalanhydrid, 1,2-Benzenedicarboxylic anhydride, 1,2-Benzenedicarboxylic acid anhydride, Vulkalent B, Wiltrol P, Phthalanhydride, RCRA waste number U190, NCI-C03601, TGL 6525, Anhydrid kyseliny ftalove, Sconoc 7, Araldite HT 901, ortho-phthalic acid anhydride, CCRIS 519, NSC 10431, 1,3-dihydro-2-benzofuran-1,3-dione, CHEBI:36605, HSDB 4012, Isobenzofuran, 1,3-dihydro-1,3-dioxo-, phtalic anhydride, UNII-UVL263I5BJ, EINECS 201-607-5, UVL263I5BJ, MFCD00005918, DTXSID2021159, AI3-04869, Ht 901, NSC-10431, DTXCID401159, EC 201-607-5, Ftalanhydrid [Czech], Ftaalzuuranhydride [Dutch], Anidride ftalica [Italian], Ftalowy bezwodnik [Polish], Retarder B-C, Anhydride phtalique [French], Phthalsaeureanhydrid [German], Anhydrid kyseliny ftalove [Czech], UN2214, RCRA waste no. U190, Phthalic anhydride (molten), Phthalic Anhydride (May Contain Up To 15% Of Phthalic Acid), pthalic anhydride, Retarder PX, o-phthalic anhydride, 1,3-dihydro-1,3-dioxoisobenzofuran, PhthalicAcidAnhydride-d4, isobenzofurane-1,3-dione, SCHEMBL220, Epitope ID:112744, WLN: T56 BVOVJ, 1,3-DIOXOPHTHALANE, 1,3-DIOXONAPHTHALAN, 2-Benzofuran-1,3-dione #, UN 2214 (Salt/Mix), Phthalic anhydride treated BSA, Phthalic anhydride treated HSA, Phthalic anhydride, ACS grade, PHTHALIC ANHYDRIDE [MI], CHEMBL1371297, PHTHALIC ANHYDRIDE [HSDB], Phthalic anhydride treated gelatin, Phthalic anhydride treated casein I, NSC10431, Phthalic anhydride treated casein II, Tox21_200142, 1,3-dihydroisobenzofuran-1,3-dione, Isobenzofuran,3-dihydro-1,3-dioxo-, MSK002114, STL194302, AKOS000121309, FP33075, CAS-85-44-9, NCGC00091060-01, NCGC00091060-02, NCGC00257696-01, BP-30002, Phthalic anhydride, ACS reagent, >=99%, PS-10628, Phthalic anhydride, for synthesis, 99.0%, Phthalic anhydride, ReagentPlus(R), 99%, 1ST002114, 1,3-DIHYDRO-1,3-DIOXOISOBENZOFURANE, NS00004500, P1614, Phthalic anhydride, purum, >=97.0% (NT), EN300-18017, P60058, Phthalic anhydride with >0.05% maleic anhydride, Phthalic anhydride, SAJ first grade, >=99.0%, A841333, Q410882, F1908-0105, InChI=1/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4, Phthalic anhydride with >0.05% maleic anhydride [UN2214] [Corrosive], Phthalic anhydride, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99%, 201-607-5
Topological Polar Surface Area 43.4
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 187.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q9NUW8, P16050, P10275, Q9R1A7, P10145, P51449, P08183
Iupac Name 2-benzofuran-1,3-dione
Prediction Hob 1.0
Target Id NPT50, NPT792
Xlogp 1.3
Molecular Formula C8H4O3
Prediction Swissadme 0.0
Inchi Key LGRFSURHDFAFJT-UHFFFAOYSA-N
Fcsp3 0.0
Logs -1.91
Rotatable Bond Count 0.0
Logd 2.833
Compound Name Phthalic anhydride
Prediction Hob Swissadme 0.0
Exact Mass 148.016
Formal Charge 0.0
Monoisotopic Mass 148.016
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 148.11
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.1699617636363637
Inchi InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
Smiles C1=CC=C2C(=C1)C(=O)OC2=O
Nring 2.0
Defined Bond Stereocenter Count 0.0