CAS No.146796-02-3,HYDROXYMETHYL EDOT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	146796-02-3
Name:	HYDROXYMETHYL EDOT
Article Data:	16

Formula:	C₇H₈O₃S
Molecular Weight:	172.205
Synonyms:	(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol;(2,3-Dihydrothienol[3,4-b][1,4]dioxin-2-yl)methanol;EDT-methanol;
Density:	1.362 g/cm³
Melting Point:	42-46 °C
Boiling Point:	294.47 °C at 760 mmHg
Flash Point:	131.891 °C
PSA:	66.93000
LogP:	0.88020

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Specification

The CAS register number of Hydroxymethyl EDOT is 146796-02-3. It also can be called as Thieno[3,4-b]-1,4-dioxin-2-methanol and the systematic name about this chemical is 2,3-dihydrothieno[3,4-b][1,4]dioxin-2-ylmethanol. The molecular formula about this chemical is C₇H₈O₃S and the molecular weight is 172.20.

Physical properties about Hydroxymethyl EDOT are: (1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 47; (7)ACD/KOC (pH 7.4): 47; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 66.93Å²; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 41.639 cm³; (14)Molar Volume: 126.4 cm³; (15)Polarizability: 16.507x10^-24cm³; (16)Surface Tension: 56.729 dyne/cm; (17)Enthalpy of Vaporization: 56.406 kJ/mol; (18)Boiling Point: 294.47 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC1COc2cscc2O1
(2)InChI: InChI=1/C7H8O3S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5,8H,1-2H2
(3)InChIKey: YFCHAINVYLQVBG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H8O3S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5,8H,1-2H2
(5)Std. InChIKey: YFCHAINVYLQVBG-UHFFFAOYSA-N