CAS No.40107-93-5,6,7-dihydropyrrolo[3,4-b]pyridin-5-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40107-93-5
Name:	6,7-dihydropyrrolo[3,4-b]pyridin-5-one
Article Data:	8

Formula:	C₇H₆N₂O
Molecular Weight:	134.137
Synonyms:	6,7-Dihydropyrrolo[3,4-b]pyridin-5-one;
EINECS:	251-156-6
Density:	1.286 g/cm³
Melting Point:	204 °C(Solv: ethanol (64-17-5))
Boiling Point:	412.125 °C at 760 mmHg
Flash Point:	203.046 °C
PSA:	45.48000
LogP:	0.33540

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Specification

The 2-(Aminomethyl)nicotinic acid lactam, with the CAS registry number 40107-93-5, is also known as 6,7-Dihydropyrrolo[3,4-b]pyridin-5-one. This chemical's molecular formula is C₇H₆N₂O and molecular weight is 134.14. What's more, its systematic name is 6,7-Dihydro-5H-pyrrolo[3,4-b]pyridin-5-one.

Physical properties of 2-(Aminomethyl)nicotinic acid lactam are: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.57; (4)ACD/LogD (pH 7.4): -0.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 11.65; (8)ACD/KOC (pH 7.4): 11.67; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.99 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 35.385 cm³; (15)Molar Volume: 104.279 cm³; (16)Polarizability: 14.028×10^-24cm³; (17)Surface Tension: 53.05 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 203.046 °C; (20)Enthalpy of Vaporization: 66.471 kJ/mol; (21)Boiling Point: 412.125 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1cccnc1CN2
(2)Std. InChI: InChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-3H,4H2,(H,9,10)
(3)Std. InChIKey: IPMQFUGFGHJSEI-UHFFFAOYSA-N