Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile |
EINECS | N/A |
CAS No. | 161468-31-1 | Density | 1.201 g/cm3 |
PSA | 66.36000 | LogP | 2.06008 |
Solubility | N/A | Melting Point |
135-137°C |
Formula | C13H10N2O2 | Boiling Point | 356.276 °C at 760 mmHg |
Molecular Weight | 226.235 | Flash Point | 169.27 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(4-Cyano-3-methyl-1H-isochromen-1-ylidene)acetamide; |
Article Data | 3 |
The CAS registry number of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile is 161468-31-1. It belongs to the product categories of Aromatics Compounds; Aromatics. In addition, its molecular formula is C13H10N2O2 and molecular weight is 226.2307. Its systematic name is called N-(4-cyano-3-methyl-1H-isochromen-1-ylidene)acetamide.
Physical properties about 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 56; (6)ACD/BCF (pH 7.4): 56; (7)ACD/KOC (pH 5.5): 621; (8)ACD/KOC (pH 7.4): 621; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 64.197 cm3; (14)Molar Volume: 188.406 cm3; (15)Surface Tension: 43.339 dyne/cm; (16)Density: 1.201 g/cm3; (17)Flash Point: 169.27 °C; (18)Enthalpy of Vaporization: 60.152 kJ/mol; (19)Boiling Point: 356.276 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)/N=C2/OC(\C)=C(\C#N)c1ccccc12
(2)InChI: InChI=1/C13H10N2O2/c1-8-12(7-14)10-5-3-4-6-11(10)13(17-8)15-9(2)16/h3-6H,1-2H3
(3)InChIKey: MBPUQAHSFIIQRP-UHFFFAOYAT