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Name |
Oxetane-2-carboxylic acid |
EINECS | N/A |
CAS No. | 864373-47-7 | Density | 1.375 g/cm3 |
PSA | 46.53000 | LogP | -0.14010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H6O3 | Boiling Point | 244.177 °C at 760 mmHg |
Molecular Weight | 102.09 | Flash Point | 115.072 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-oxetanecarboxylic acid;oxetane-2-carboxylic acid; |
The Oxetane-2-carboxylic acid, with the CAS registry number 864373-47-7, is also called 2-oxetanecarboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C4H6O3.
The physical properties of Oxetane-2-carboxylic acid are as followings: (1)ACD/LogP: -0.62; (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: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 21.548 cm3; (13)Molar Volume: 74.27 cm3; (14)Polarizability: 8.542×10-24cm3; (15)Surface Tension: 53.673 dyne/cm; (16)Density: 1.375 g/cm3; (17)Flash Point: 115.072 °C; (18)Enthalpy of Vaporization: 52.995 kJ/mol; (19)Boiling Point: 244.177 °C at 760 mmHg; (20)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1COC1C(=O)O
(2)InChI: InChI=1/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)
(3)InChIKey: ZKCXAZCRQJSFTQ-UHFFFAOYAK