Name: 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion
SKU: 65996-50-1

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Basic Information

Molecular Structure:
CAS No.:	65996-50-1
Name:	1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion
Article Data:	18

Formula:	C₆H₅N₃O₂
Molecular Weight:	151.125
Synonyms:	5H-Pyrrolo[3,2-d]pyrimidine-2,4-diol;
Density:	1.516 g/cm³
Melting Point:	>360 °C(Solv: water (7732-18-5))
Boiling Point:	607.6 °C at 760 mmHg
Flash Point:	321.2 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	81.51000
LogP:	-0.45550

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Specification

The 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion, with the CAS registry number 65996-50-1, is also known as Pyrolo[3,2-d]pyrimidin-2,4(1H,3H)-dione. It belongs to the product category of Ketone. This chemical's molecular formula is C₆H₅N₃O₂ and molecular weight is 151.12. Its systematic name is called 1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione.

Physical properties of 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion: (1)ACD/LogP: -0.92; (2)ACD/LogD (pH 5.5): -0.92; (3)ACD/LogD (pH 7.4): -0.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.54; (7)ACD/KOC (pH 7.4): 7.54; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)Index of Refraction: 1.624; (11)Molar Refractivity: 35.2 cm³; (12)Molar Volume: 99.6 cm³; (13)Surface Tension: 62.9 dyne/cm; (14)Density: 1.516 g/cm³; (15)Flash Point: 321.2 °C; (16)Enthalpy of Vaporization: 93.61 kJ/mol; (17)Boiling Point: 607.6 °C at 760 mmHg; (18)Vapour Pressure: 2.35E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1nccc1NC(=O)N2
(2)InChI: InChI=1/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)
(3)InChIKey: BSRITDQWGPSXPQ-UHFFFAOYAO