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| CAS No.: | 14166-28-0 |
|---|---|
| Name: | NORBORNANE-2EXO,3EXO-DICARBOXYLIC ACID-ANHYDRIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | 2,3-Norbornanedicarboxylic anhydride, cis-exo- (8CI);Norbornanedicarboxylic anhydride, cis-exo- (8CI);;exo-Norbornane-2,3-dicarboxylic anhydride;4,7-Methanoisobenzofuran-1,3-dione, hexahydro-, (3aα,4β,7β,7aα)-;NSC 59061;cis-exo-2,3-Norbornanedicarboxylic anhydride; |
| Density: | 1.347 g/cm3 |
| Melting Point: | 80-82 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 335.194 °C at 760 mmHg |
| Flash Point: | 165.348 °C |
| Appearance: | Light Yellow Solid |
| PSA: | 43.37000 |
| LogP: | 0.73210 |
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Specification
The 4,7-Methanoisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-, with the CAS registry number 14166-28-0, is also known as exo-Norbornane-2,3-dicarboxylic anhydride. It belongs to the product categories of Heterocycles; Miscellaneous Reagents. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17.
Physical properties of 4,7-Methanoisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7R,7aS)-rel- are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.632; (4)ACD/LogD (pH 7.4): 0.632; (5)ACD/BCF (pH 5.5): 1.781; (6)ACD/BCF (pH 7.4): 1.781; (7)ACD/KOC (pH 5.5): 52.603; (8)ACD/KOC (pH 7.4): 52.603; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 39.525 cm3; (15)Molar Volume: 123.391 cm3; (16)Polarizability: 15.669×10-24cm3; (17)Surface Tension: 48.022 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 165.348 °C ; (20)Enthalpy of Vaporization: 57.823 kJ/mol; (21)Boiling Point: 335.194 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: C1C[C@@]23C[C@@H]1CC2C(=O)OC3=O
(2)Std. InChI: InChI=1S/C9H10O3/c10-7-6-3-5-1-2-9(6,4-5)8(11)12-7/h5-6H,1-4H2/t5-,6?,9+/m0/s1
(3)Std. InChIKey: BMFBFDCEBVLCEW-CJWBAZIPSA-N