CAS No.42941-62-8,(3-Hydroxymethyl-oxetan-3-yl)acetonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42941-62-8
Name:	(3-Hydroxymethyl-oxetan-3-yl)acetonitrile

Formula:	C₆H₉NO₂
Molecular Weight:	127.1412
Synonyms:	3-(4-(Tributylstannyl)thiazol-2-yl)oxetan-3-ol;
Density:	1.156 g/cm³
Boiling Point:	291.5 °C at 760 mmHg
Flash Point:	130.1 °C
PSA:	53.25000
LogP:	-0.09102

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Specification

The (3-Hydroxymethyl-oxetan-3-yl)acetonitrile has CAS registry number 42941-62-8. This chemical's molecular formula is C₆H₉NO₂ and molecular weight is 127.1412. What's more, its IUPAC name is 2-[3-(Hydroxymethyl)oxetan-3-yl]acetonitrile.

Physical properties about (3-Hydroxymethyl-oxetan-3-yl)acetonitrile are: (1)ACD/LogP: -1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.86; (8)ACD/KOC (pH 7.4): 3.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.25 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 30.81 cm³; (15)Molar Volume: 109.9 cm³; (16)Polarizability: 12.21×10^-24 cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 61.6 kJ/mol; (21)Boiling Point: 291.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000209 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCC1(CO)COC1
(2) InChI: InChI=1/C6H9NO2/c7-2-1-6(3-8)4-9-5-6/h8H,1,3-5H2
(3) InChIKey: FQVIUCMKUIUWKC-UHFFFAOYAP