CAS No.179688-53-0,3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	179688-53-0
Name:	3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
Article Data:	61
Cas Database

Formula:	C₁₁H₁₀N₂O₄
Molecular Weight:	234.211
Synonyms:	6-Acetoxy-7-methoxy-3,4-dihydroquinazolin-4-one;6-Acetoxy-7-methoxyquinazolin-4(3H)-one;6-Acetoxy-7-methoxyquinazolin-4-one;Acetic acid 4-hydroxy-7-methoxyquinazolin-6-yl ester;3,4-Dihydro-4-oxo-6-acetyloxy-7-methoxyquinazoline;4(1H)-Quinazolinone,6-(acetyloxy)-7-methoxy- (9CI);3,4-Dihydro-4-oxo-6-acetoxy-7-methoxyquinazoline;
EINECS:	808-050-2
Density:	1.395 g/cm³
Melting Point:	293 °C
Boiling Point:	390.518 °C at 760 mmHg
Flash Point:	189.979 °C
PSA:	81.28000
LogP:	0.85700

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Specification

The 3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate, with the CAS registry number 179688-53-0, has the systematic name of 6-methoxy-4-oxo-1,4-dihydroquinazolin-7-yl acetate. And the molecular formula of this chemical is C₁₁H₁₀N₂O₄. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate are as following: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34; (8)ACD/KOC (pH 7.4): 34; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.99 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 58.36 cm³; (15)Molar Volume: 167.937 cm³; (16)Polarizability: 23.136×10^-24cm³; (17)Surface Tension: 48.694 dyne/cm; (18)Density: 1.395 g/cm³; (19)Flash Point: 189.979 °C; (20)Enthalpy of Vaporization: 64 kJ/mol; (21)Boiling Point: 390.518 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1cc2N\C=N/C(=O)c2cc1OC
(2)InChI: InChI=1/C11H10N2O4/c1-6(14)17-10-4-8-7(3-9(10)16-2)11(15)13-5-12-8/h3-5H,1-2H3,(H,12,13,15)
(3)InChIKey: UVNGEPOWQCFTDI-UHFFFAOYAD