4H-1-Benzopyran-2-carboxamide,4-oxo-N-phenyl- supplier

Name
4-oxo-N-phenyl-4H-chromene-2-carboxamide
EINECS
CAS No. 3845-16-7
Article Data12
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₁NO₃
Boiling Point 472.386 °C at 760 mmHg
Molecular Weight 265.268
Flash Point 239.491 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Oxo-4H-chromene-2-carboxylic acid phenylamide;
PSA 59.31000
LogP 3.11830

4H-1-Benzopyran-2-carboxamide,4-oxo-N-phenyl- Specification

The 4H-1-Benzopyran-2-carboxamide,4-oxo-N-phenyl-, with the CAS registry number of 3845-16-7, is also known as 4-Oxo-4H-chromene-2-carboxylic acid phenylamide. Its molecular formula is C₁₆H₁₁NO₃ and molecular weight is 265.2634. What's more, its systematic name is 4-Oxo-N-phenyl-4H-chromene-2-carboxamide.

Physical properties about the 4H-1-Benzopyran-2-carboxamide,4-oxo-N-phenyl- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 45; (6)ACD/BCF (pH 7.4): 45; (7)ACD/KOC (pH 5.5): 529; (8)ACD/KOC (pH 7.4): 527; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 73.516 cm³; (15)Molar Volume: 193.68 cm³; (16)Surface Tension: 64.678 dyne/cm; (17)Density: 1.37 g/cm³; (18)Flash Point: 239.491 °C; (19)Enthalpy of Vaporization: 73.531 kJ/mol; (20)Boiling Point: 472.386 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)C(=O)Nc2ccccc2)cccc3
(2) InChI: InChI=1/C16H11NO3/c18-13-10-15(20-14-9-5-4-8-12(13)14)16(19)17-11-6-2-1-3-7-11/h1-10H,(H,17,19)
(3) InChIKey: VVWWYMNUAXKVCF-UHFFFAOYAF

Product Name

4-oxo-N-phenyl-4H-chromene-2-carboxamide

4H-1-Benzopyran-2-carboxamide,4-oxo-N-phenyl- Specification

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