Cas no 53584-57-9 (4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydromethyl-, (3aR,4R,7S,7aS)-rel-)
53584-57-9 structure
Product Name:4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydromethyl-, (3aR,4R,7S,7aS)-rel-
CAS No:53584-57-9
MF:C10H10O3
MW:178.184603214264
CID:379519
PubChem ID:6452856
Update Time:2025-04-19
4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydromethyl-, (3aR,4R,7S,7aS)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydromethyl-, (3aR,4R,7S,7aS)-rel-
- (1alpha,2alpha,3beta,6beta)-1,2,3,6-tetrahydromethyl-3,6-methanophthalic anhydride
- 1,2,3,6-Tetrahydromethyl-3,6-methanophthalic anhydride
- EINECS 258-647-1
- NS00123308
- 53584-57-9
- Methy nadic Anhydride(MNA)
- (1R,2R,6S,7S)-2-METHYL-4-OXATRICYCLO[5.2.1.0(2),?]DEC-8-ENE-3,5-DIONE
-
- MDL： MFCD00213543
- Inchi： 1S/C10H10O3/c1-10-6-3-2-5(4-6)7(10)8(11)13-9(10)12/h2-3,5-7H,4H2,1H3/t5-,6+,7-,10-/m1/s1
- InChI Key： LTVUCOSIZFEASK-JTGULSINSA-N
- SMILES： O1C([C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C1=O)C)=O
Computed Properties
- Exact Mass: 178.06300
- Monoisotopic Mass: 178.062994
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.4
- XLogP3: 1
Experimental Properties
- Density: 1.354
- Boiling Point: 315.3°C at 760 mmHg
- Flash Point: 150.1°C
- Refractive Index: 1.578
- PSA: 43.37000
- LogP: 0.89820
4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydromethyl-, (3aR,4R,7S,7aS)-rel- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
53584-57-9 (4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydromethyl-, (3aR,4R,7S,7aS)-rel-) Related Products
- 826-62-0(Nadic anhydride)
- 129-64-6(Carbic anhydride)
- 10138-32-6(ETHYL 5-NORBORNENE-2-CARBOXYLATE (MIXTURE OF ENDO AND EXO))
- 25134-21-8((3Ar,4S,7R,7aS)-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione)
- 5333-84-6(3-Methyl-4-cyclohexene-1,2-dicarboxylic Anhydride)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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