1H-Indole-3-propanoicacid, a-hydroxy- supplier

Name
DL-INDOLE-3-LACTIC ACID
EINECS 217-347-0
CAS No. 1821-52-9
Article Data19
CAS DataBase
Density 1.428 g/cm³
Solubility
Melting Point 145-146 °C(lit.)
Formula C₁₁H₁₁NO₃
Boiling Point 477.3 °C at 760 mmHg
Molecular Weight 205.213
Flash Point 242.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-lacticacid;3-Indole-lactic acid;3-(3-Indolyl)lactic acid;alpha-Hydroxy-1H-indole-3-propanoic acid;3-[3-Indolyl]-2-hydroxypropanoic acid;
PSA 73.32000
LogP 1.15590

1H-Indole-3-propanoicacid, a-hydroxy- Specification

The 1H-Indole-3-propanoicacid, a-hydroxy-, with the CAS registry number 1821-52-9, is also known as Indole-3-lacticacid. It belongs to the product categories of Indoles; Simple Indoles. Its EINECS number is 217-347-0. This chemical's molecular formula is C₁₁H₁₁NO₃ and molecular weight is 205.21. What's more, its IUPAC name is 2-hydroxy-3-(1H-indol-3-yl)propanoic acid.

Physical properties of 1H-Indole-3-propanoicacid, a-hydroxy- are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -2.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 55.76 cm³; (15)Molar Volume: 143.7 cm³; (16)Polarizability: 22.1×10^-24cm³; (17)Surface Tension: 75 dyne/cm; (18)Density: 1.428 g/cm³; (19)Flash Point: 242.4 °C; (20)Enthalpy of Vaporization: 78.07 kJ/mol; (21)Boiling Point: 477.3 °C at 760 mmHg; (22)Vapour Pressure: 6.46E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)Cc2c1ccccc1nc2
(2)Std. InChI: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
(3)Std. InChIKey: XGILAAMKEQUXLS-UHFFFAOYSA-N

Product Name

DL-INDOLE-3-LACTIC ACID

1H-Indole-3-propanoicacid, a-hydroxy- Specification

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