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CAS No.: | 3470-45-9 |
---|---|
Name: | 1-OXO-INDAN-5-CARBOXYLIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H8O3 |
Molecular Weight: | 176.172 |
Synonyms: | 1-Indanone-5-carboxylic acid;5-Indancarboxylicacid, 1-oxo- (7CI,8CI); |
Density: | 1.381 g/cm3 |
Boiling Point: | 389.1 °C at 760 mmHg |
Flash Point: | 203.3 °C |
PSA: | 54.37000 |
LogP: | 1.51370 |
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The 1-Oxoindan-5-carboxylic acid is an organic compound with the formula C10H8O3. The systematic name of this chemical is 1-oxo-2,3-dihydro-1H-indene-5-carboxylic acid. With the CAS registry number 3470-45-9, it is also named as 1H-indene-5-carboxylic acid, 2,3-dihydro-1-oxo-.
Physical properties about 1-Oxoindan-5-carboxylic acid are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.55; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.37 Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 45.48 cm3; (14)Molar Volume: 127.5 cm3; (15)Polarizability: 18.03×10-24cm3; (16)Surface Tension: 62.1 dyne/cm; (17)Density: 1.381 g/cm3; (18)Flash Point: 203.3 °C; (19)Enthalpy of Vaporization: 67.33 kJ/mol; (20)Boiling Point: 389.1 °C at 760 mmHg; (21)Vapour Pressure: 9.46E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2c(c1)CCC2=O
(2)InChI: InChI=1/C10H8O3/c11-9-4-2-6-5-7(10(12)13)1-3-8(6)9/h1,3,5H,2,4H2,(H,12,13)
(3)InChIKey: SLLCLJRVOCBDTC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H8O3/c11-9-4-2-6-5-7(10(12)13)1-3-8(6)9/h1,3,5H,2,4H2,(H,12,13)
(5)Std. InChIKey: SLLCLJRVOCBDTC-UHFFFAOYSA-N