1H-Pyrrolo[2,3-b]pyridine-2,3-dione,3-oxime supplier

Name
1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 3-oxime
EINECS
CAS No. 126807-18-9
Density 1.68 g/cm³
Solubility
Melting Point
Formula C₇H₅N₃O₂
Boiling Point 366.9 °C at 760 mmHg
Molecular Weight 163.136
Flash Point 175.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3Z)-3-(Hydroxyimino)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one;
PSA 74.58000
LogP 0.35000

1H-Pyrrolo[2,3-b]pyridine-2,3-dione,3-oxime Specification

The 1H-Pyrrolo[2,3-b]pyridine-2,3-dione,3-oxime, with the CAS registry number 126807-18-9, is also known as (3Z)-3-(Hydroxyimino)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one. This chemical's molecular formula is C₇H₅N₃O₂ and molecular weight is 163.1335. What's more, its systematic name is called 3-(Hydroxyamino)-2H-pyrrolo[2,3-b]pyridin-2-one.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine-2,3-dione,3-oxime are: (1)ACD/LogP: -1.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.97; (8)ACD/KOC (pH 7.4): 3.46; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.26 Å²; (13)Index of Refraction: 1.778; (14)Molar Refractivity: 40.56 cm³; (15)Molar Volume: 96.8 cm³; (16)Polarizability: 16.08×10^-24 cm³; (17)Surface Tension: 75.6 dyne/cm; (18)Density: 1.68 g/cm³; (19)Flash Point: 175.7 °C; (20)Enthalpy of Vaporization: 70.99 kJ/mol; (21)Boiling Point: 366.9 °C at 760 mmHg; (22)Vapour Pressure: 7.12E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2/N=C1/N=C\C=C/C1=C\2NO
(2) InChI: InChI=1/C7H5N3O2/c11-7-5(10-12)4-2-1-3-8-6(4)9-7/h1-3,12H,(H,8,9,10,11)
(3) InChIKey: KVOOCKIXYUMIKC-UHFFFAOYAB

Product Name

1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 3-oxime

1H-Pyrrolo[2,3-b]pyridine-2,3-dione,3-oxime Specification

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