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| CAS No.: | 71005-12-4 |
|---|---|
| Name: | 3-OXO-INDAN-4-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H8O3 |
| Molecular Weight: | 176.17 |
| Synonyms: | 3-Oxo-2,3-dihydro-1H-indene-4-carboxylic acid; |
| Density: | 1.381 g/cm3 |
| Melting Point: | 159.5-161.5℃ |
| Boiling Point: | 383.062 °C at 760 mmHg |
| Flash Point: | 199.642 °C |
| PSA: | 54.37000 |
| LogP: | 1.51370 |
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- Total:30 Page 1 of 1 1
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Specification
The CAS registry number of 1H-Indene-4-carboxylic acid, 2,3-dihydro-3-oxo- is 71005-12-4. In addition, the molecular formula is C10H8O3 and the molecular weight is 176.17. The systematic name is 3-oxo-2,3-dihydro-1H-indene-4-carboxylic acid. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1H-Indene-4-carboxylic acid, 2,3-dihydro-3-oxo- are: (1)ACD/LogP: 0.71; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 54.37 Å2; (10)Index of Refraction: 1.632; (11)Molar Refractivity: 45.488 cm3; (12)Molar Volume: 127.552 cm3; (13)Polarizability: 18.033 ×10-24cm3; (14)Surface Tension: 62.162 dyne/cm; (15)Density: 1.381 g/cm3; (16)Flash Point: 199.642 °C; (17)Enthalpy of Vaporization: 66.617 kJ/mol; (18)Boiling Point: 383.062 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc2CCC(=O)c12
(2)InChI: InChI=1/C10H8O3/c11-8-5-4-6-2-1-3-7(9(6)8)10(12)13/h1-3H,4-5H2,(H,12,13)
(3)InChIKey: PHXDJUCKRPYDTG-UHFFFAOYAO