CAS No.17288-52-7,1H-PYRROLO[3,2-B]PYRIDINE-2-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17288-52-7
Name:	1H-PYRROLO[3,2-B]PYRIDINE-2-CARBALDEHYDE
Article Data:	6

Formula:	C₈H₆N₂O
Molecular Weight:	146.148
Synonyms:	Pyrrolo[3,2-b]pyridine-2-carbaldehyde;
Density:	1.369 g/cm³
Boiling Point:	361.126 °C at 760 mmHg
Flash Point:	175.979 °C
PSA:	45.75000
LogP:	1.37540

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Specification

This chemical's CAS registry number is 17288-52-7 and it also known as Pyrrolo[3,2-b]pyridine-2-carbaldehyde. This chemical's molecular formula is C₈H₆N₂O and molecular weight is 146.146. What's more, its systematic name is called 1H-Pyrrolo[3,2-b]pyridine-2-carbaldehyde.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-2-carboxaldehyde are: (1)ACD/LogP: 1.48; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17; (7)ACD/KOC (pH 7.4): 30; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.75 Å²; (12)Index of Refraction: 1.747; (13)Molar Refractivity: 43.373 cm³; (14)Molar Volume: 106.761 cm³; (15)Polarizability: 17.194×10^-24 cm³; (16)Surface Tension: 71.011 dyne/cm; (17)Density: 1.369 g/cm³; (18)Flash Point: 175.979 °C; (19)Enthalpy of Vaporization: 60.692 kJ/mol; (20)Boiling Point: 361.126 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc2ncccc2n1
(2) InChI: InChI=1/C8H6N2O/c11-5-6-4-8-7(10-6)2-1-3-9-8/h1-5,10H
(3) InChIKey: DQSXESUAVDEVJI-UHFFFAOYAN