Acetamide,N-(2-oxo-2H-1-benzopyran-6-yl)- supplier

Name
6-ACETAMIDOCOUMARIN
EINECS
CAS No. 833-68-1
Article Data4
CAS DataBase
Density 1.352 g/cm³
Solubility
Melting Point
Formula C11H9NO3
Boiling Point 474.2 °C at 760 mmHg
Molecular Weight 203.197
Flash Point 240.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Coumarin,6-acetamido-(6CI,7CI,8CI);6-(Acetylamino)-1,2-benzopyrone;6-Acetamido-1,2-benzopyrone;6-Acetamidocoumarin;NSC73720;6-(Acetylamino)coumarin;
PSA 59.31000
LogP 1.82440

Acetamide,N-(2-oxo-2H-1-benzopyran-6-yl)- Specification

The Acetamide,N-(2-oxo-2H-1-benzopyran-6-yl)- with CAS registry number of 833-68-1 is also called 6-(Acetylamino)-1,2-benzopyrone. The IUPAC name is N-(2-oxo-2H-chromen-6-yl)acetamide. In addition, the formula is C₁₁H₉NO₃ and the molecular weight is 203.1941.

Physical properties about this chemical are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.76; (8)ACD/KOC (pH 7.4): 32.76; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 54.03 cm³; (15)Molar Volume: 150.1 cm³; (16)Polarizability: 21.42 ×10^-24cm³; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.352 g/cm³; (19)Flash Point: 240.6 °C; (20)Enthalpy of Vaporization: 73.75 kJ/mol; (21)Boiling Point: 474.2 °C at 760 mmHg; (22)Vapour Pressure: 3.67E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ccc1OC(=O)/C=C\c1c2)C
(2)InChI: InChI=1/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13)
(3)InChIKey: UCNNBCBFCASUHR-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	2gm/kg (2000mg/kg)		Cancer Research. Vol. 26, Pg. 619, 1966.

Product Name

6-ACETAMIDOCOUMARIN

Acetamide,N-(2-oxo-2H-1-benzopyran-6-yl)- Specification

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