CAS No.62501-72-8,(R)-2-(Hydroxymethyl)-1,4-benzodioxane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62501-72-8
Name:	(R)-2-(Hydroxymethyl)-1,4-benzodioxane
Article Data:	22

Formula:	C₉H₁₀O₃
Molecular Weight:	166.17
Synonyms:	1,4-Benzodioxin-2-methanol,2,3-dihydro-, (R)-;(2R)-2-Hydroxymethyl-1,4-benzodioxan;(2R)-2-Hydroxymethyl-1,4-benzodioxane;(R)-2,3-Dihydro-1,4-benzodioxin-2-methanol;(R)-2-Hydroxymethyl-2,3-dihydro-1,4-benzodioxin;
Density:	1.213±0.06 g/cm3(Predicted)
Melting Point:	1.213 g/cm³
Boiling Point:	281.1 °C at 760 mmHg
Flash Point:	123.8 °C
PSA:	38.69000
LogP:	0.81870

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Specification

The cas register number of (R)-2-(Hydroxymethyl)-1,4-benzodioxane is 62501-72-8. It also can be called as 1,4-Benzodioxin-2-methanol,2,3-dihydro-, (2R)- and the Systematic name about this chemical is (2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethanol.

Physical properties about (R)-2-(Hydroxymethyl)-1,4-benzodioxane are: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/LogD (pH 7.4): 0.86; (4)ACD/BCF (pH 5.5): 2.66; (5)ACD/BCF (pH 7.4): 2.66; (6)ACD/KOC (pH 5.5): 70.11; (7)ACD/KOC (pH 7.4): 70.11; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 27.69Å²; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 43.25 cm³; (14)Molar Volume: 136.9 cm³; (15)Polarizability: 17.14x10^-24cm³; (16)Surface Tension: 49.8 dyne/cm; (17)Enthalpy of Vaporization: 54.92 kJ/mol; (18)Vapour Pressure: 0.00172 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(O[C@@H](C1)CO)cccc2
(2)InChI: InChI=1/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2/t7-/m1/s1
(3)InChIKey: GWQOQQVKVOOHTI-SSDOTTSWBZ
(4)Std. InChI: InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2/t7-/m1/s1
(5)Std. InChIKey: GWQOQQVKVOOHTI-SSDOTTSWSA-N