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CAS No.: | 2754-18-9 |
---|---|
Name: | 3,3-bisz-(Hydroxymethyl)-oxetane |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H10O3 |
Molecular Weight: | 118.133 |
Synonyms: | Oxetane, 3,3-bis-(hydroxymethyl);Oxetane-3,3-diyldimethanol; |
Density: | 1.21 g/cm3 |
Melting Point: | 84℃ |
Boiling Point: | 237.7 °C at 760 mmHg |
Flash Point: | 97.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 49.69000 |
LogP: | -1.01240 |
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The 3,3-Bis(hydroxymethyl)oxetane, with the CAS registry number 2754-18-9, is also known as Oxetane, 3,3-bis-(hydroxymethyl). This chemical's molecular formula is C5H10O3 and molecular weight is 118.13. What's more, its systematic name is oxetane-3,3-diyldimethanol.
Physical properties of 3,3-Bis(hydroxymethyl)oxetane are: (1)ACD/LogP: -1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 2.74; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 27.69 Å2; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 27.8 cm3; (12)Molar Volume: 97.5 cm3; (13)Polarizability: 11.02×10-24cm3; (14)Surface Tension: 59.6 dyne/cm; (15)Density: 1.21 g/cm3; (16)Flash Point: 97.5 °C; (17)Enthalpy of Vaporization: 55.15 kJ/mol; (18)Boiling Point: 237.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00789 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC1(CO)COC1
(2)InChI: InChI=1S/C5H10O3/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2
(3)InChIKey: QSGREIXRTDCBHO-UHFFFAOYSA-N