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| CAS No.: | 7218-52-2 |
|---|---|
| Name: | 4-Hydroxybut-2-ynoic acid |
| Molecular Structure: | |
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| Formula: | C4H4O3 |
| Molecular Weight: | 100.074 |
| Synonyms: | Tetrolicacid, hydroxy- (7CI,8CI);4-Hydroxy-2-butynoic acid;NSC 620042;g-Hydroxytetrolic acid; |
| Density: | 1.429 g/cm3 |
| Boiling Point: | 319.2 °C at 760 mmHg |
| Flash Point: | 161 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 57.53000 |
| LogP: | -0.93330 |
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Specification
The 4-Hydroxybut-2-ynoic acid, with the CAS registry number 7218-52-2, is also known as 2-Butynoic acid, 4-hydroxy-. This chemical's molecular formula is C4H4O3 and molecular weight is 100.07. Its systematic name is called 4-hydroxybut-2-ynoic acid.
Physical properties of 4-Hydroxybut-2-ynoic acid: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 21.68 cm3; (12)Molar Volume: 69.9 cm3; (13)Surface Tension: 77.9 dyne/cm; (14)Density: 1.429 g/cm3; (15)Flash Point: 161 °C; (16)Enthalpy of Vaporization: 65 kJ/mol; (17)Boiling Point: 319.2 °C at 760 mmHg; (18)Vapour Pressure: 2.83E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C#CCO
(2)InChI: InChI=1/C4H4O3/c5-3-1-2-4(6)7/h5H,3H2,(H,6,7)
(3)InChIKey: QVYMWMSAXULCMW-UHFFFAOYAE