Cas no 54738-85-1 (1,3-Isobenzofurandione, 4,4'-(1-methylethylidene)bis-)
54738-85-1 structure
Product Name:1,3-Isobenzofurandione, 4,4'-(1-methylethylidene)bis-
CAS No:54738-85-1
MF:C19H12O6
MW:336.294985771179
CID:353811
PubChem ID:21614951
Update Time:2025-04-19
1,3-Isobenzofurandione, 4,4'-(1-methylethylidene)bis- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione, 4,4'-(1-methylethylidene)bis-
- 4-[2-(1,3-dioxo-2-benzofuran-4-yl)propan-2-yl]-2-benzofuran-1,3-dione
- SCHEMBL434702
- DTXSID30616355
- 4,4'-(Propane-2,2-diyl)di(2-benzofuran-1,3-dione)
- isopropyl-idenediphthalic anhydride
- 54738-85-1
-
- Inchi： 1S/C19H12O6/c1-19(2,11-7-3-5-9-13(11)17(22)24-15(9)20)12-8-4-6-10-14(12)18(23)25-16(10)21/h3-8H,1-2H3
- InChI Key： QMQRETUNHYBHFV-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=CC(=C2C1=O)C(C)(C)C1C=CC=C2C(=O)OC(C=12)=O)=O
Computed Properties
- Exact Mass: 336.06336
- Monoisotopic Mass: 336.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 596
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 86.7?2
Experimental Properties
- PSA: 86.74
1,3-Isobenzofurandione, 4,4'-(1-methylethylidene)bis- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
54738-85-1 (1,3-Isobenzofurandione, 4,4'-(1-methylethylidene)bis-) Related Products
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