7-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, methyl ester supplier

Name
Methyl 4-hydroxyquinazoline-7-carboxylate
EINECS
CAS No. 313535-84-1
Article Data6
CAS DataBase
Density 1.39 g/cm³
Solubility
Melting Point 252.5-254.5 °C
Formula C₁₀H₈N₂O₃
Boiling Point 378.6 °C at 760 mmHg
Molecular Weight 204.185
Flash Point 182.8 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 20/22
Molecular Structure
Hazard Symbols
Synonyms 7-Quinazolinecarboxylicacid, 1,4-dihydro-4-oxo-, methyl ester (9CI);
PSA 72.31000
LogP 1.12200

7-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, methyl ester Specification

The 7-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, methyl ester, with the CAS registry number 313535-84-1, is also known as Methyl 3,4-dihydro-4-oxoquinazoline-7-carboxylate. This chemical's molecular formula is C₁₀H₈N₂O₃ and molecular weight is 204.18212. Its IUPAC name is called methyl 4-oxo-1,4-dihydroquinazoline-7-carboxylate.

Physical properties of 7-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, methyl ester: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 4.02; (5)ACD/BCF (pH 7.4): 4.02; (6)ACD/KOC (pH 5.5): 94.22; (7)ACD/KOC (pH 7.4): 94.22; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 52.54 cm³; (13)Molar Volume: 146.1 cm³; (14)Surface Tension: 52.4 dyne/cm; (15)Density: 1.39 g/cm³; (16)Flash Point: 182.8 °C; (17)Enthalpy of Vaporization: 62.65 kJ/mol; (18)Boiling Point: 378.6 °C at 760 mmHg; (19)Vapour Pressure: 6.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc2c(c1)N/C=N\C2=O
(2)InChI: InChI=1/C10H8N2O3/c1-15-10(14)6-2-3-7-8(4-6)11-5-12-9(7)13/h2-5H,1H3,(H,11,12,13)
(3)InChIKey: RUSVJCCYUALGPZ-UHFFFAOYAB

Product Name

Methyl 4-hydroxyquinazoline-7-carboxylate

7-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, methyl ester Specification

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