Products Categories
CAS No.: | 103646-29-3 |
---|---|
Name: | 6-ACETAMIDOCHROMAN-4-ONE |
Molecular Structure: | |
Formula: | C11H11NO3 |
Molecular Weight: | 205.21 |
Synonyms: | 4-Chromanone,6-acetamido- (6CI); |
Density: | 1.308 g/cm3 |
Melting Point: | 164-166 °C |
Boiling Point: | 458.444 °C at 760 mmHg |
Flash Point: | 231.059 °C |
Hazard Symbols: | Xi,T |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 45 |
PSA: | 55.40000 |
LogP: | 1.68320 |
What can I do for you?
Get Best Price
This chemical is called Acetamide,N-(3,4-dihydro-4-oxo-2H-1-benzopyran-6-yl)-, and its IUPAC name is N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide. With the molecular formula of C11H11NO3, its molecular weight is 205.21. The CAS registry number of this chemical is 103646-29-3.
Other characteristics of the Acetamide,N-(3,4-dihydro-4-oxo-2H-1-benzopyran-6-yl)- can be summarised as followings: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 55.4 Å2; (9)Index of Refraction: 1.61; (10)Molar Refractivity: 54.43 cm3; (11)Molar Volume: 156.8 cm3; (12)Polarizability: 21.57× 10-24cm3; (13)Surface Tension: 56.3 dyne/cm; (14)Density: 1.308 g/cm3; (15)Flash Point: 231.1 °C; (16)Enthalpy of Vaporization: 71.88 kJ/mol; (17)Boiling Point: 458.4 °C at 760 mmHg; (18)Vapour Pressure: 1.37E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(=O)Nc1ccc2OCCC(=O)c2c1
2.InChI: InChI=1/C11H11NO3/c1-7(13)12-8-2-3-11-9(6-8)10(14)4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)
3.InChIKey: IASWWLNIFLMDBI-UHFFFAOYAH