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| CAS No.: | 15482-54-9 |
|---|---|
| Name: | (4-CARBOXYPHENYL)ACETONE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H10O3 |
| Molecular Weight: | 178.188 |
| Synonyms: | Benzoicacid, p-acetonyl- (8CI);4-(2-Oxopropyl)benzoic acid; |
| Density: | 1.2g/cm3 |
| Melting Point: | 196.5-197.0 °C |
| Boiling Point: | 330.5 °C at 760 mmHg |
| Flash Point: | 167.9 °C |
| PSA: | 54.37000 |
| LogP: | 1.51630 |
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- Total:16 Page 1 of 1 1
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Specification
The 4-(2-Oxopropyl)benzoic acid with the CAS number 15482-54-9 is also called Benzoic acid,4-(2-oxopropyl)-. Its molecular formula is C10H10O3. The product category is Aromatic Ketones (substituted). This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4-(2-Oxopropyl)benzoic acid are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -1.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.36; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 47.39 cm3; (15)Molar Volume: 148.4 cm3; (16)Polarizability: 18.78×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 60.49 kJ/mol; (19)Vapour Pressure: 6.63×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cc1ccc(cc1)C(=O)O)C
(2)InChI: InChI=1/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
(3)InChIKey: FLZUYXUBDVKWPO-UHFFFAOYAV