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| CAS No.: | 39684-61-2 |
|---|---|
| Name: | (Z)-alpha-(methoxyimino)furan-2-acetic acid |
| Molecular Structure: | |
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| Formula: | C7H7NO4 |
| Molecular Weight: | 169.137 |
| Synonyms: | 2-Furanaceticacid, a-(methoxyimino)-, (Z)-;(Z)-2-(2-Furyl)-2-methoxyiminoacetic acid;syn-2-Furyl-2-methoxyiminoaceticacid; |
| EINECS: | 254-591-7 |
| Density: | 1.32 g/cm3 |
| Boiling Point: | 284.694 °C at 760 mmHg |
| Flash Point: | 125.979 °C |
| PSA: | 72.03000 |
| LogP: | 0.71470 |
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Specification
The 2-Furanacetic acid, α-(methoxyimino)-, (alphaZ)- is an organic compound with the formula C7H7NO4. The systematic name of this chemical is (2Z)-furan-2-yl(methoxyimino)ethanoic acid. With the CAS registry number 39684-61-2, it is also named as Furan-2-yl-[(Z)-methoxyimino]-acetic acid.
Physical properties about 2-Furanacetic acid, α-(methoxyimino)-, (alphaZ)- are: (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.03 Å2; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 39.604 cm3; (14)Molar Volume: 128.071 cm3; (15)Polarizability: 15.7×10-24cm3; (16)Surface Tension: 45.01 dyne/cm; (17)Density: 1.321 g/cm3; (18)Flash Point: 125.979 °C; (19)Enthalpy of Vaporization: 55.312 kJ/mol; (20)Boiling Point: 284.694 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=N\OC)/c1occc1
(2)InChI: InChI=1/C7H7NO4/c1-11-8-6(7(9)10)5-3-2-4-12-5/h2-4H,1H3,(H,9,10)/b8-6-
(3)InChIKey: ZNQCEVIJOQZWLO-VURMDHGXBJ
(4)Std. InChI: InChI=1S/C7H7NO4/c1-11-8-6(7(9)10)5-3-2-4-12-5/h2-4H,1H3,(H,9,10)/b8-6-
(5)Std. InChIKey: ZNQCEVIJOQZWLO-VURMDHGXSA-N