Pyrido[3,2-d]pyrimidin-4(3H)-one supplier

Name
Pyrido[3,2-d]pyrimidin-4(1H)-one (9CI)
EINECS
CAS No. 37538-67-3
Article Data16
CAS DataBase
Density 1.47 g/cm³
Solubility
Melting Point >300℃
Formula C₇H₅N₃O
Boiling Point 346.2 °C at 760 mmHg
Molecular Weight 147.13
Flash Point 163.2 °C
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Molecular Structure
Hazard Symbols
Synonyms Pyrido[3,2-d]pyrimidin-4(1H)-one(9CI);Pyrido[3,2-d]pyrimidin-4-ol (6CI);3H-Pyrido[3,2-d]pyrimidin-4-one;
PSA 58.90000
LogP 0.73040

Pyrido[3,2-d]pyrimidin-4(3H)-one Specification

The Pyrido[3, 2-d]pyrimidin-4(3H)-one, with the CAS registry number 37538-67-3, is also known as Pyrido[3, 2-d]pyrimidin-4-ol. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₇H₅N₃O and molecular weight is 147.13. What's more, its systematic name is Pyrido[3, 2-d]pyrimidin-4(1H)-one.

Physical properties about Pyrido[3, 2-d]pyrimidin-4(3H)-one are: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.64; (8)ACD/KOC (pH 7.4): 9.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.56 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 39.71 cm³; (15)Molar Volume: 99.5 cm³; (16)Polarizability: 15.74×10^-24 cm³; (17)Surface Tension: 62.6 dyne/cm; (18)Density: 1.47 g/cm³; (19)Flash Point: 163.2 °C; (20)Enthalpy of Vaporization: 59.03 kJ/mol; (21)Boiling Point: 346.2 °C at 760 mmHg; (22)Vapour Pressure: 5.85E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\N=C/Nc2cccnc12
(2) InChI: InChI=1/C7H5N3O/c11-7-6-5(9-4-10-7)2-1-3-8-6/h1-4H,(H,9,10,11)
(3) InChIKey: FSKYZRCACCHDGR-UHFFFAOYAP

Product Name

Pyrido[3,2-d]pyrimidin-4(1H)-one (9CI)

Pyrido[3,2-d]pyrimidin-4(3H)-one Specification

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