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| CAS No.: | 153180-21-3 |
|---|---|
| Name: | 4-Oxazolecarboxylicacid,2-(1-methylethyl)-(9CI) |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H11NO3 |
| Molecular Weight: | 155.153 |
| Synonyms: | 4-Oxazolecarboxylicacid,2-(1-methylethyl)-(9CI);2-Isopropyl-4,5-dihydrooxazole-4-carboxylic acid;2-isopropyloxazole-4-carboxylic acid |
| Density: | 1.3 g/cm3 |
| Boiling Point: | 277.2 °C at 760 mmHg |
| Flash Point: | 121.4 °C |
| PSA: | 58.89000 |
| LogP: | -0.04010 |
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Specification
The 2-Isopropyl-4,5-dihydrooxazole-4-carboxylic acid with the cas registry number of 153180-21-3 belongs to the product categories of carboxylicacid and isopropyl. This chemical's molecular formula is C7H11NO3 and formula weight is 157.168. It is also known as 4-Oxazolecarboxylic acid, 4,5-dihydro-2-(1-methylethyl)- and 2-(Propan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid. What's more, its systematic name is called 2-Isopropyl-4,5-dihydrooxazole-4-carboxylic acid.
Physical properties about this chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 58.89 Å2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 38.02 cm3; (7)Molar Volume: 120.6 cm3; (8)Surface Tension: 40.8 dyne/cm; (9)Density: 1.3 g/cm3; (10)Flash Point: 121.4 °C; (11)Enthalpy of Vaporization: 56.76 kJ/mol; (12)Boiling Point: 277.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00124 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C1=NC(CO1)C(=O)O;
(2)InChI: InChI=1/C7H11NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-5H,3H2,1-2H3,(H,9,10);
(3)InChIKey: VAJPROOEDQJSQS-UHFFFAOYA;
(4)Std. InChI: InChI=1S/C7H11NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-5H,3H2,1-2H3,(H,9,10);
(5)Std. InChIKey: VAJPROOEDQJSQS-UHFFFAOYSA-N.