CAS No.276862-85-2,1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	276862-85-2
Name:	1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI)
Article Data:	5

Formula:	C₈H₆N₂O
Molecular Weight:	146.146
Synonyms:	4-Azaindole-3-carbaldehyde;
Density:	1.368 g/cm³
Boiling Point:	361.1 °C at 760 mmHg
Flash Point:	176 °C
PSA:	45.75000
LogP:	1.37540

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Specification

This chemical's CAS registry number is 276862-85-2 and it also known as 4-Azaindole-3-carbaldehyde. It belongs to the product categories of Pyridine and Aldehyde. This chemical's molecular formula is C₈H₆N₂O and molecular weight is 146.146. What's more, both the product name and systematic name are the same which is called 1H-Pyrrolo[3,2-b]pyridine-3-carbaldehyde.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde are: (1)ACD/LogP: 0.32; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 27.96; (8)ACD/KOC (pH 7.4): 35.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 43.37 cm³; (15)Molar Volume: 106.7 cm³; (16)Polarizability: 17.19×10^-24 cm³; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 176 °C; (20)Enthalpy of Vaporization: 60.69 kJ/mol; (21)Boiling Point: 361.1 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cnc1cccnc12
(2) InChI: InChI=1/C8H6N2O/c11-5-6-4-10-7-2-1-3-9-8(6)7/h1-5,10H
(3) InChIKey: JDIWXZAFVHTGBQ-UHFFFAOYAA