Cas no 13149-03-6 (1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-, (3aR,7aR)-rel-)
13149-03-6 structure
Product Name:1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-, (3aR,7aR)-rel-
CAS No:13149-03-6
MF:C8H8O3
MW:152.147322654724
CID:200823
PubChem ID:15620752
Update Time:2025-04-19
1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-, (3aR,7aR)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-, (3aR,7aR)-rel-
- 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
- trans-1,2,3,6-Tetrahydrophthalic anhydride
- (+-)-trans-Cyclohex-4-en-1,2-dicarbonsaeure-anhydrid
- (+-)-trans-cyclohex-4-ene-1,2-dicarboxylic acid-anhydride
- 1,3-Isobenzofurandione, 3A,4,7,7A-tetrahydro-, trans-
- 4-Cyclohexene-1,2-dicarboxylic anhydride, trans-
- Nsc292900
- trans-4-Cylohexene-1,2-dicarboxylic anhydride
- trans-4-Cyclohexene-1,2-dicarboxylic anhydride
- (7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- SCHEMBL13551917
- 13149-03-6
- DTXSID1058713
-
- Inchi： 1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6?/m1/s1
- InChI Key： KMOUUZVZFBCRAM-LWOQYNTDSA-N
- SMILES： O1C([C@@H]2CC=CCC2C1=O)=O
Computed Properties
- Exact Mass: 152.04734
- Monoisotopic Mass: 152.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 0.8
Experimental Properties
- Density: Relative vapor density (air = 1): 5.3
- Melting Point: 102 °C
- Boiling Point: 305.6°Cat760mmHg
- Flash Point: 148.2°C
- Refractive Index: 1.592
- PSA: 43.37
- LogP: 0.65220
1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-, (3aR,7aR)-rel- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
13149-03-6 (1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-, (3aR,7aR)-rel-) Related Products
- 826-62-0(Nadic anhydride)
- 3425-89-6(4-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride)
- 129-64-6(Carbic anhydride)
- 19780-11-1((2-Dodecen-1-yl)succinic anhydride)
- 85-43-8(1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione)
- 26544-38-7(Dihydro-3-(tetrapropenyl)-2,5-furandione)
- 26590-20-5(Methyltetrahydrophthalic anhydride)
- 5048-50-0(Diethyl trans-4-Cyclohexene-1,2-dicarboxylate)
- 5333-84-6(3-Methyl-4-cyclohexene-1,2-dicarboxylic Anhydride)
- 935-79-5((3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione)
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