-
Name
CYCLOPENTANE-1,2-DICARBOXYLIC ACID ANHYDRIDE
- EINECS 252-773-0
- CAS No. 35878-28-5
- Article Data14
- CAS DataBase
- Density 1.31 g/cm3
- Solubility
- Melting Point 73-74 °C
- Formula C7H8O3
- Boiling Point 289.184 °C at 760 mmHg
- Molecular Weight 140.139
- Flash Point 140.371 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 38-41
-
Molecular Structure
- Hazard Symbols Xi
- 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;
- PSA 43.37000
- LogP 0.48610
1H-Cyclopenta[c]furan-1,3(3aH)-dione,tetrahydro-, (3aR,6aS)-rel- Specification
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
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