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CAS No.: | 35878-28-5 |
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Name: | CYCLOPENTANE-1,2-DICARBOXYLIC ACID ANHYDRIDE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H8O3 |
Molecular Weight: | 140.139 |
Synonyms: | 1H-Cyclopenta[c]furan-1,3(3aH)-dione,tetrahydro-, cis-;cis-1,2-Cyclopentanedicarboxylic anhydride;cis-Cyclopentane-1,2-dicarboxylic acid anhydride;(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione; |
EINECS: | 252-773-0 |
Density: | 1.31 g/cm3 |
Melting Point: | 73-74 °C |
Boiling Point: | 289.184 °C at 760 mmHg |
Flash Point: | 140.371 °C |
Hazard Symbols: | Xi |
Risk Codes: | 38-41 |
Safety: | 26-39 |
PSA: | 43.37000 |
LogP: | 0.48610 |
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The 1H-Cyclopenta[c]furan-1,3(3aH)-dione,tetrahydro-, (3aR,6aS)-rel-, with the CAS registry number 35878-28-5, is also known as Cis-tetrahydro-1H-cyclopenta[c]furan-1,3(4H)-dione. Its EINECS number is 252-773-0. This chemical's molecular formula is C7H8O3 and molecular weight is 140.14. What's more, its systematic name is (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione.
Physical properties of 1H-Cyclopenta[c]furan-1,3(3aH)-dione,tetrahydro-, (3aR,6aS)-rel- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 16; (6)ACD/KOC (pH 7.4): 16; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 32.201 cm3; (13)Molar Volume: 106.989 cm3; (14)Polarizability: 12.765×10-24 cm3; (15)Surface Tension: 45.504 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 140.371 °C; (18)Enthalpy of Vaporization: 52.847 kJ/mol; (19)Boiling Point: 289.184 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2C(C1)C(=O)OC2=O
(2)InChI: InChI=1/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2/t4-,5+
(3)InChIKey: NMSRALOLNIBERV-SYDPRGILBU