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| CAS No.: | 6214-35-3 |
|---|---|
| Name: | (Z)-(3)-IODOACRYLIC ACID |
| Molecular Structure: | |
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| Formula: | C3H3IO2 |
| Molecular Weight: | 197.96 |
| Synonyms: | 2-Propenoicacid, 3-iodo-, (Z)-;Acrylic acid, 3-iodo-, (Z)- (8CI);(Z)-3-Iodo-2-propenoicacid;(Z)-3-Iodoacrylic acid;(2Z)-3-Iodoprop-2-enoic acid; |
| Density: | 2.325 g/cm3 |
| Melting Point: | 65 °C |
| Boiling Point: | 248.3 °C at 760 mmHg |
| Flash Point: | 104 °C |
| Appearance: | White to yellow crystalline powder |
| PSA: | 37.30000 |
| LogP: | 1.01970 |
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- Total:14 Page 1 of 1 1
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Specification
The 2-Propenoic acid,3-iodo-, (2Z)-, with the CAS registry number 6214-35-3, is also known as (Z)-(3)-Iodoacrylic acid. This chemical's molecular formula is C3H3IO2 and molecular weight is 197.96. What's more, its systematic name is (2Z)-3-Iodoprop-2-enoic acid.
Physical properties of 2-Propenoic acid,3-iodo-, (2Z)- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -2.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.52; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 30.53 cm3; (15)Molar Volume: 85.1 cm3; (16)Polarizability: 12.1×10-24 cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 2.325 g/cm3; (19)Flash Point: 104 °C; (20)Enthalpy of Vaporization: 53.46 kJ/mol; (21)Boiling Point: 248.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00783 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: I[C@H]=CC(=O)O
(2)InChI: InChI=1S/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-
(3)InChIKey: IBFDLVHJHUMSAC-UPHRSURJSA-N