CAS No.89792-11-0,4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-2-methyl- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89792-11-0
Name:	4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-2-methyl- (9CI)

Formula:	C₇H₇N₃O
Molecular Weight:	149.152
Synonyms:	4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-2-methyl- (9CI);7H-Pyrrolo[2,3-d]pyrimidin-4-ol, 2-methyl- (7CI);
Density:	1.51g/cm³
Melting Point:	<300℃
Boiling Point:	374.9 °C at 760 mmHg
Flash Point:	180.5 °C
PSA:	61.54000
LogP:	0.55960

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Specification

The 4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-2-methyl-, with CAS registry number 89792-11-0, belongs to the following product category: Pyrimidine. It has the systematic name of 2-methyl-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one. And the chemical formula of this chemical is C₇H₇N₃O.

Physical properties of 4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-2-methyl-: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.77; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.97; (8)ACD/KOC (pH 7.4): 9.25; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.6 Å²; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 39.53 cm³; (15)Molar Volume: 98.6 cm³; (16)Polarizability: 15.67×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.51 g/cm³; (19)Flash Point: 180.5 °C; (20)Enthalpy of Vaporization: 62.23 kJ/mol; (21)Boiling Point: 374.9 °C at 760 mmHg; (22)Vapour Pressure: 8.08E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C(\Nc1nccc12)C
(2)InChI: InChI=1/C7H7N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3,(H2,8,9,10,11)
(3)InChIKey: ZFUQHMCXUYLASE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H7N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3,(H2,8,9,10,11)
(5)Std. InChIKey: ZFUQHMCXUYLASE-UHFFFAOYSA-N