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| CAS No.: | 125218-55-5 |
|---|---|
| Name: | 3-AMINOTETRAHYDROFURAN-3-CARBOXYLIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H9NO3 |
| Molecular Weight: | 131.13 |
| Synonyms: | 3-Amino-3-tetrahydrofurancarboxylic acid; |
| EINECS: | 822-805-3 |
| Density: | 1.338 g/cm3 |
| Boiling Point: | 288.82 °C at 760 mmHg |
| Flash Point: | 128.474 °C |
| PSA: | 72.55000 |
| LogP: | -0.11090 |
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Specification
The 3-Aminotetrahydrofuran-3-carboxylic acid, with the CAS registry number 125218-55-5, is also called 3-Amino-3-tetrahydrofurancarboxylic acid. It belongs to the product category of Amino acid, and the molecular formula of this chemical is C5H9NO3.
The physical properties of 3-Aminotetrahydrofuran-3-carboxylic acid are as following: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.5; (4)ACD/LogD (pH 7.4): -3.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 29.61 cm3; (15)Molar Volume: 98 cm3; (16)Polarizability: 11.74×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.337 g/cm3; (19)Flash Point: 128.5 °C; (20)Enthalpy of Vaporization: 58.1 kJ/mol; (21)Boiling Point: 288.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000577 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1(N)COCC1
(2)InChI: InChI=1/C5H9NO3/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)
(3)InChIKey: ATUWXXVBEAYCSQ-UHFFFAOYAQ