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4647-43-2

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Basic Information
CAS No.: 4647-43-2
Name: Indane-1,2-diol
Article Data: 99
Molecular Structure:
Molecular Structure of 4647-43-2 (Indane-1,2-diol)
Formula: C9H10O2
Molecular Weight: 150.177
Synonyms: 1,2-Indandiol,trans- (8CI);1H-Indene-1,2-diol, 2,3-dihydro-, trans-;(?à)-trans-1,2-Indandiol;(?à)-trans-Indane-1,2-diol;trans-1,2-Dihydroxyindane;trans-1,2-Indandiol;
Density: 1.334 g/cm3
Boiling Point: 288.5 °C at 760 mmHg
Flash Point: 142.8 °C
PSA: 40.46000
LogP: 0.63700
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Specification

The 1H-Indene-1,2-diol,2,3-dihydro-, (1R,2R)-rel-, with the CAS registry number 4647-43-2, is also known as trans-2,3-Dihydro-1H-indene-1,2-diol. This chemical's molecular formula is C9H10O2 and molecular weight is 150.1745. Its IUPAC name is called (1R,2R)-2,3-dihydro-1H-indene-1,2-diol.

Physical properties of 1H-Indene-1,2-diol,2,3-dihydro-, (1R,2R)-rel-: (1)ACD/LogP: 0.68; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.661; (6)Molar Refractivity: 41.6 cm3; (7)Molar Volume: 112.4 cm3; (8)Surface Tension: 55.4 dyne/cm; (9)Density: 1.334 g/cm3; (10)Flash Point: 142.8 °C; (11)Enthalpy of Vaporization: 55.74 kJ/mol; (12)Boiling Point: 288.5 °C at 760 mmHg; (13)Vapour Pressure: 0.00108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(C2=CC=CC=C21)O)O
(2)Isomeric SMILES: C1[C@H]([C@@H](C2=CC=CC=C21)O)O
(3)InChI: InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1
(4)InChIKey: YKXXBEOXRPZVCC-RKDXNWHRSA-N