CAS No.33388-19-1,2(3H)-Benzoxazolone,3-(1-oxopropyl)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33388-19-1
Name:	2(3H)-Benzoxazolone,3-(1-oxopropyl)-
Article Data:	12

Formula:	C₁₀H₉NO₃
Molecular Weight:	191.186
Synonyms:	2-Benzoxazolinone,3-propionyl- (8CI);3-Propionyl-2-benzoxazolinone;
Density:	1.319g/cm³
Boiling Point:	305.7 °C at 760 mmHg
Flash Point:	138.7 °C
PSA:	52.21000
LogP:	1.64470

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Specification

The 2(3H)-Benzoxazolone,3-(1-oxopropyl)-, with CAS registry number 33388-19-1, belongs to the following product categories: Oxazole & Isoxazole. It has the systematic name of 3-propanoyl-1,3-benzoxazol-2(3H)-one. Besides this, it is also called 3-Propionyl-2-benzoxazolinone. And the chemical formula of this chemical is C₁₀H₉NO₃.

Physical properties of 2(3H)-Benzoxazolone,3-(1-oxopropyl)-: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.61 Å²; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 48.34 cm³; (9)Molar Volume: 144.8 cm³; (10)Polarizability: 19.16×10^-24cm³; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.319 g/cm³; (13)Flash Point: 138.7 °C; (14)Enthalpy of Vaporization: 54.62 kJ/mol; (15)Boiling Point: 305.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000807 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1c2ccccc2OC1=O)CC
(2)InChI: InChI=1/C10H9NO3/c1-2-9(12)11-7-5-3-4-6-8(7)14-10(11)13/h3-6H,2H2,1H3
(3)InChIKey: VBWYZPGRKYRKNV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H9NO3/c1-2-9(12)11-7-5-3-4-6-8(7)14-10(11)13/h3-6H,2H2,1H3
(5)Std. InChIKey: VBWYZPGRKYRKNV-UHFFFAOYSA-N