1H-Indole-4-acetic acid supplier

Name
2-(1H-INDOL-4-YL)ACETIC ACID
EINECS
CAS No. 16176-74-2
Density 1.355 g/cm³
Solubility
Melting Point 207-208℃ (ethanol benzene )
Formula C₁₀H₉NO₂
Boiling Point 415.03 °C at 760 mmHg
Molecular Weight 175.187
Flash Point 204.803 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1H-indol-4-yl)acetic acid;
PSA 53.09000
LogP 1.79500

1H-Indole-4-acetic acid Specification

The 1H-Indole-4-acetic acid, with the CAS registry number 16176-74-2, is also known as 2-(1H-Indol-4-yl)acetic acid. This chemical's molecular formula is C₁₀H₉NO₂ and molecular weight is 175.18. What's more, its systematic name is 1H-indol-4-ylacetic acid.

Physical properties of 1H-Indole-4-acetic acid are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.09 Å²; (12)Index of Refraction: 1.694; (13)Molar Refractivity: 49.642 cm³; (14)Molar Volume: 129.315 cm³; (15)Polarizability: 19.68×10^-24cm³; (16)Surface Tension: 66.374 dyne/cm; (17)Density: 1.355 g/cm³; (18)Flash Point: 204.803 °C; (19)Enthalpy of Vaporization: 70.436 kJ/mol; (20)Boiling Point: 415.03 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc1cccc2nccc12
(2)Std. InChI: InChI=1S/C10H9NO2/c12-10(13)6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6H2,(H,12,13)
(3)Std. InChIKey: XYJNAOLVFGLFTJ-UHFFFAOYSA-N

Product Name

2-(1H-INDOL-4-YL)ACETIC ACID

1H-Indole-4-acetic acid Specification

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