1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel- supplier

Name
CIS-1,2-INDANE DIOL
EINECS
CAS No. 4647-42-1
Article Data99
CAS DataBase
Density 1.334 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₂
Boiling Point 288.5 °C at 760 mmHg
Molecular Weight 150.177
Flash Point 142.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Indandiol,cis- (8CI);1H-Indene-1,2-diol, 2,3-dihydro-, cis-;(?à)-cis-1,2-Indandiol;cis-1,2-Indandiol;cis-Indane-1,2-diol;
PSA 40.46000
LogP 0.63700

1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel- Specification

The 1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel-, with the CAS registry number 4647-42-1, is also known as cis-1,2-Indandiol. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.1745. Its IUPAC name is called (1R,2S)-2,3-dihydro-1H-indene-1,2-diol.

Physical properties of 1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel-: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.94; (5)ACD/BCF (pH 7.4): 1.94; (6)ACD/KOC (pH 5.5): 55.98; (7)ACD/KOC (pH 7.4): 55.98; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.661; (12)Molar Refractivity: 41.6 cm³; (13)Molar Volume: 112.4 cm³; (14)Surface Tension: 55.4 dyne/cm; (15)Density: 1.334 g/cm³; (16)Flash Point: 142.8 °C; (17)Enthalpy of Vaporization: 55.74 kJ/mol; (18)Boiling Point: 288.5 °C at 760 mmHg; (19)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+/m0/s1
(4)InChIKey: YKXXBEOXRPZVCC-DTWKUNHWSA-N

Product Name

CIS-1,2-INDANE DIOL

1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel- Specification

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