Name: 3,4-DIHYDRO-2H-CHROMEN-2-YLMETHANOL
SKU: 83278-86-8

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Basic Information

Molecular Structure:
CAS No.:	83278-86-8
Name:	3,4-DIHYDRO-2H-CHROMEN-2-YLMETHANOL
Article Data:	13

Formula:	C₁₀H₁₂O₂
Molecular Weight:	164.204
Synonyms:	(Chroman-2-yl)methanol;2-(Hydroxymethyl)chroman;3,4-Dihydro-2H-chromen-2-ylmethanol;Chroman-2-yl-methanol;2H-1-benzopyran-2-methanol, 3,4-dihydro-;
Density:	1.125 g/cm³
Melting Point:	44 °C
Boiling Point:	293.2 °C at 760 mmHg
Flash Point:	133.9 °C
PSA:	29.46000
LogP:	1.37250

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Specification

The 2H-1-Benzopyran-2-methanol,3,4-dihydro-, with the CAS registry number 83278-86-8, has the systematic name of 3,4-dihydro-2H-chromen-2-ylmethanol. It belongs to the product categories of Hydroxymethyl's and Fused Ring Systems. And the molecular formula of the chemical is C₁₀H₁₂O₂.

The characteristics of 2H-1-Benzopyran-2-methanol,3,4-dihydro- are as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.3; (6)ACD/BCF (pH 7.4): 12.3; (7)ACD/KOC (pH 5.5): 209.8; (8)ACD/KOC (pH 7.4): 209.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 46.26 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 18.33×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 133.9 °C; (20)Enthalpy of Vaporization: 56.27 kJ/mol; (21)Boiling Point: 293.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000795 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCC2Oc1ccccc1CC2
(2)InChI: InChI=1/C10H12O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,11H,5-7H2
(3)InChIKey: KDLVSGWUKFJFTL-UHFFFAOYAT