Methyl 7-azaindole-3-glyoxylate supplier

Name
METHYL 7-AZAINDOLE-3-GLYOXYLATE
EINECS
CAS No. 357263-49-1
Article Data11
CAS DataBase
Density 1.392g/cm³
Solubility
Melting Point 165-168°C
Formula C₁₀H₈N₂O₃
Boiling Point 399.1 °C at 760 mmHg
Molecular Weight 204.18
Flash Point 195.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Oxo)(1H-pyrrolo[2,3-b]pyridin-3-yl)aceticacid methyl ester;
PSA 72.05000
LogP 0.91860

Methyl 7-azaindole-3-glyoxylate Specification

The Methyl 7-azaindole-3-glyoxylate, with CAS registry number 357263-49-1, belongs to the following product categorie: Indole Derivatives. It has the systematic name of methyl oxo(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate. And this chemical is white to off-white.

Physical properties about this chemical are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.7; (6)ACD/BCF (pH 7.4): 2.7; (7)ACD/KOC (pH 5.5): 70.85; (8)ACD/KOC (pH 7.4): 70.91; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.19 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 53.05 cm³; (15)Molar Volume: 146.6 cm³; (16)Polarizability: 21.03×10^-24cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Enthalpy of Vaporization: 64.97 kJ/mol; (19)Vapour Pressure: 1.41E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(=O)c2c1cccnc1nc2
(2)InChI: InChI=1/C10H8N2O3/c1-15-10(14)8(13)7-5-12-9-6(7)3-2-4-11-9/h2-5H,1H3,(H,11,12)
(3)InChIKey: LXGPNHJNIRDJER-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H8N2O3/c1-15-10(14)8(13)7-5-12-9-6(7)3-2-4-11-9/h2-5H,1H3,(H,11,12)
(5)Std. InChIKey: LXGPNHJNIRDJER-UHFFFAOYSA-N

Product Name

METHYL 7-AZAINDOLE-3-GLYOXYLATE

Methyl 7-azaindole-3-glyoxylate Specification

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