1,3-Propanedione,1-(4-methoxyphenyl)-3-(3-nitrophenyl)- supplier

Name
1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
EINECS
CAS No. 37975-16-9
Density 1.285 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₃NO₅
Boiling Point 485.9 °C at 760 mmHg
Molecular Weight 299.28
Flash Point 212.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4'-Methoxyphenyl)-3-(3'-nitrophenyl)propane-1,3-dione;NSC 61623;1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione;
PSA
LogP

1,3-Propanedione,1-(4-methoxyphenyl)-3-(3-nitrophenyl)- Specification

The 1,3-Propanedione,1-(4-methoxyphenyl)-3-(3-nitrophenyl)-, with the CAS registry number 37975-16-9, is also known as 1-(4'-Methoxyphenyl)-3-(3'-nitrophenyl)propane-1,3-dione. This chemical's molecular formula is C₁₆H₁₃NO₅ and molecular weight is 299.28. What's more, its systematic name is 1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione.

Physical properties of 1,3-Propanedione,1-(4-methoxyphenyl)-3-(3-nitrophenyl)- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 89.19 Å²; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 79.1 cm³; (9)Molar Volume: 232.7 cm³; (10)Polarizability: 31.35×10^-24 cm³; (11)Surface Tension: 52 dyne/cm; (12)Density: 1.285 g/cm³; (13)Flash Point: 212.5 °C; (14)Enthalpy of Vaporization: 75.15 kJ/mol; (15)Boiling Point: 485.9 °C at 760 mmHg; (16)Vapour Pressure: 1.35E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [O-][N+](=O)c1cccc(c1)C(=O)CC(=O)c2ccc(OC)cc2
(2)InChI: InChI=1/C16H13NO5/c1-22-14-7-5-11(6-8-14)15(18)10-16(19)12-3-2-4-13(9-12)17(20)21/h2-9H,10H2,1H3
(3)InChIKey: IGEZAWGTOAHSLD-UHFFFAOYAU

Product Name

1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione

1,3-Propanedione,1-(4-methoxyphenyl)-3-(3-nitrophenyl)- Specification

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