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4770-34-7

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Basic Information
CAS No.: 4770-34-7
Name: 1-(6-hydroxyindolin-1-yl)ethanone
Article Data: 5
Molecular Structure:
Molecular Structure of 4770-34-7 (1-(6-hydroxyindolin-1-yl)ethanone)
Formula: C10H11NO2
Molecular Weight: 177.203
Synonyms: 1H-Indol-6-ol,1-acetyl-2,3-dihydro- (9CI);6-Indolinol, 1-acetyl- (7CI,8CI);1-Acetyl-6-hydroxyindoline;
Density: 1.272 g/cm3
Boiling Point: 454.3 °C at 760 mmHg
Flash Point: 228.5 °C
PSA: 40.54000
LogP: 1.36620
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    1H-Indol-6-ol, 1-acetyl-2,3-dihydro- CAS NO.4770-34-7

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Specification

The Ethanone,1-(2,3-dihydro-6-hydroxy-1H-indol-1-yl)-, with the CAS registry number 4770-34-7, is also known as 1-(6-Hydroxyindolin-1-yl)ethanone. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.1998. What's more, its systematic name is called 1-(6-Hydroxy-2,3-dihydro-1H-indol-1-yl)ethanone.

Physical properties about Ethanone,1-(2,3-dihydro-6-hydroxy-1H-indol-1-yl)- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.56; (6)ACD/BCF (pH 7.4): 3.54; (7)ACD/KOC (pH 5.5): 86.45; (8)ACD/KOC (pH 7.4): 85.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 48.46 cm3; (15)Molar Volume: 139.2 cm3; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 228.5 °C; (19)Enthalpy of Vaporization: 74.12 kJ/mol; (20)Boiling Point: 454.3 °C at 760 mmHg; (21)Vapour Pressure: 7.17E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)N2CCc1ccc(O)cc12
(2) InChI: InChI=1/C10H11NO2/c1-7(12)11-5-4-8-2-3-9(13)6-10(8)11/h2-3,6,13H,4-5H2,1H3
(3) InChIKey: PTYHKNCEOYQXTD-UHFFFAOYAO