1H-Indole-3-propanoicacid, 2-phenyl- supplier

Name
3-(2-phenyl-1H-indol-3-yl)propanoic acid
EINECS
CAS No. 62663-27-8
Article Data3
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₅NO₂
Boiling Point 530.6 °C at 760 mmHg
Molecular Weight 265.31
Flash Point 274.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 364001;3-(2-Phenyl-1H-indol-3-yl)propanoic acid;
PSA 53.09000
LogP 3.85210

1H-Indole-3-propanoicacid, 2-phenyl- Specification

The 1H-Indole-3-propanoicacid, 2-phenyl-, with the CAS registry number 62663-27-8, is also known as 2-Methyl-1,3-dioxacyclohexane. This chemical's molecular formula is C₁₇H₁₅NO₂ and molecular weight is 265.31. What's more, its IUPAC name is 3-(2-phenyl-1H-indol-3-yl)propanoic acid.

Physical properties of 1H-Indole-3-propanoicacid, 2-phenyl- are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 153.09; (6)ACD/BCF (pH 7.4): 2.43; (7)ACD/KOC (pH 5.5): 730.98; (8)ACD/KOC (pH 7.4): 11.6; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 78.86 cm³; (15)Molar Volume: 211.1 cm³; (16)Polarizability: 31.26×10^-24cm³; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.256 g/cm³; (19)Flash Point: 274.7 °C; (20)Enthalpy of Vaporization: 84.84 kJ/mol; (21)Boiling Point: 530.6 °C at 760 mmHg; (22)Vapour Pressure: 4.34E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)O
(2)InChI: InChI=1S/C17H15NO2/c19-16(20)11-10-14-13-8-4-5-9-15(13)18-17(14)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,19,20)
(3)InChIKey: HLMMIHTXAONNJG-UHFFFAOYSA-N

Product Name

3-(2-phenyl-1H-indol-3-yl)propanoic acid

1H-Indole-3-propanoicacid, 2-phenyl- Specification

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