-
Name
Benzamide, 3-acetyl- (9CI)
- EINECS
- CAS No. 78950-32-0
- Article Data5
- CAS DataBase
- Density 1.168 g/cm3
- Solubility
- Melting Point
- Formula C9H9NO2
- Boiling Point 320.203 °C at 760 mmHg
- Molecular Weight 163.176
- Flash Point 147.454 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Acetylbenzamide;
- PSA 60.16000
- LogP 1.68840
3-Acetylbenzamide Specification
The 3-Acetylbenzamide is an organic compound with the formula C9H9NO2. It belongs to the product categories of Acetylgroup; Amide. ith the CAS registry number 78950-32-0, its systematic name is 3-acetylbenzamide.
Physical properties of 3-Acetylbenzamide: (1)ACD/LogP: 0.69; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 42; (5)ACD/KOC (pH 7.4): 42; (6)#H bond acceptors: 3; (7) #H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 45.211 cm3; (11)Molar Volume: 139.665 cm3; (12)Surface Tension: 47.619 dyne/cm; (13)Density: 1.168 g/cm3; (14)Flash Point: 147.454 °C; (15)Enthalpy of Vaporization: 56.185 kJ/mol; (16)Boiling Point: 320.203 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1cccc(c1)C(C)=O
(2)InChI: InChI=1/C9H9NO2/c1-6(11)7-3-2-4-8(5-7)9(10)12/h2-5H,1H3,(H2,10,12)
(3)InChIKey: VTBUZDRQHQPEQY-UHFFFAOYAX
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