3-Benzoyl-7-methoxycoumarin supplier

Name
3-BENZOYL-7-METHOXYCOUMARIN
EINECS 604-604-1
CAS No. 64267-12-5
Article Data17
CAS DataBase
Density 1.296g/cm³
Solubility
Melting Point 150-153 °C
Formula C₁₇H₁₂O₄
Boiling Point 481.6 °C at 760 mmHg
Molecular Weight 280.28
Flash Point 216.2 °C
Transport Information
Appearance light yellow to green crystalline powder
Safety 24/25-22
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Benzoyl-7-methoxycoumarin;7-Methoxy-3-benzoylcoumarin;NSC 379520;
PSA 56.51000
LogP 3.03260

3-Benzoyl-7-methoxycoumarin Specification

The 3-Benzoyl-7-methoxycoumarin with the CAS number 64267-12-5 is also called 2H-1-Benzopyran-2-one,3-benzoyl-7-methoxy-. The systematic name is 3-benzoyl-7-methoxy-2H-chromen-2-one. Its molecular formula is C₁₇H₁₂O₄. This chemcial belongs to the following product categories: (1)Aromatics Compounds; (2)Aromatics; (3)Fluorescent Labels & Indicators; (4)Heterocycles. It is light yellow to green crystalline powder.

The properties of the 3-Benzoyl-7-methoxycoumarin are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 76.08 cm³; (9)Molar Volume: 216.1 cm³; (10)Polarizability: 30.16×10^-24cm³; (11)Surface Tension: 51.7 dyne/cm; (12)Enthalpy of Vaporization: 74.64 kJ/mol; (13)Vapour Pressure: 1.96×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C\1=C\c2c(OC/1=O)cc(OC)cc2)c3ccccc3
(2)InChI: InChI=1/C17H12O4/c1-20-13-8-7-12-9-14(17(19)21-15(12)10-13)16(18)11-5-3-2-4-6-11/h2-10H,1H3
(3)InChIKey: HYORIVUCOQKMOC-UHFFFAOYAS

Product Name

3-BENZOYL-7-METHOXYCOUMARIN

3-Benzoyl-7-methoxycoumarin Specification

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