CAS No.2754-18-9,3,3-bisz-(Hydroxymethyl)-oxetane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2754-18-9
Name:	3,3-bisz-(Hydroxymethyl)-oxetane
Article Data:	3

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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Specification

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