Basic Information | Post buying leads | Suppliers |
Name |
1H-Indole-3-aceticacid, 5-cyano-2-methyl- |
EINECS | N/A |
CAS No. | 13218-36-5 | Density | 1.36 g/cm3 |
PSA | 76.88000 | LogP | 1.97508 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H10N2O2 | Boiling Point | 497.2 °C at 760 mmHg |
Molecular Weight | 214.22 | Flash Point | 254.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-Cyano-2-methyl-1H-indol-3-yl)acetic acid;5-Cyano-2-methylindole-3-acetic acid;2-(5-cyano-2-methylindol-3-yl)acetic acid; |
The 1H-Indole-3-aceticacid, 5-cyano-2-methyl-, with the CAS registry number 13218-36-5, is also known as (5-Cyano-2-methyl-1H-indol-3-yl)acetic acid. This chemical's molecular formula is C12H10N2O2 and molecular weight is 214.22. What's more, its systematic name is 2-(5-cyano-2-methyl-1H-indol-3-yl)acetic acid.
Physical properties of 1H-Indole-3-aceticacid, 5-cyano-2-methyl- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55 ; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 76.88 Å2; (8)Index of Refraction: 1.665; (9)Molar Refractivity: 58.33 cm3; (10)Molar Volume: 156.9 cm3; (11)Polarizability: 23.12×10-24cm3; (12)Surface Tension: 72.5 dyne/cm; (13)Density: 1.36 g/cm3; (14)Flash Point: 254.5 °C; (15)nthalpy of Vaporization: 80.58 kJ/mol; (16)Boiling Point: 497.2 °C at 760 mmHg; (17)Vapour Pressure: 1.05E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc1c2cc(ccc2nc1C)C#N
(2)Std. InChI: InChI=1S/C12H10N2O2/c1-7-9(5-12(15)16)10-4-8(6-13)2-3-11(10)14-7/h2-4,14H,5H2,1H3,(H,15,16)
(3)Std. InChIKey: PCXWGSGFUMSJBP-UHFFFAOYSA-N