5-Methylchromen-2-one supplier

Name
5-methyl-2H-chromen-2-one
EINECS
CAS No. 42286-84-0
Article Data6
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₀H₈O₂
Boiling Point 310.3 °C at 760 mmHg
Molecular Weight 160.172
Flash Point 127.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-17-10-00167 (Beilstein Handbook Reference);5-Methyl-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one, 5-methyl- (9CI);5-Methylcoumarin;
PSA
LogP

5-Methylchromen-2-one Specification

The 5-Methylchromen-2-one, with the CAS registry number 42286-84-0, is also known as 5-Methyl-2H-chromen-2-one. This chemical's molecular formula is C₁₀H₈O₂ and molecular weight is 160.16932. What's more, its IUPAC name is called 5-Methylchromen-2-one. The classification code is Drug / Therapeutic Agent.

Physical properties about 5-Methylchromen-2-one are: (1) ACD/LogP: 1.85; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.85; (4) ACD/LogD (pH 7.4): 1.85; (5) ACD/BCF (pH 5.5): 15; (6) ACD/BCF (pH 7.4): 15; (7ACD/KOC (pH 5.5): 241.79; (8) ACD/KOC (pH 7.4): 241.79; (9) #H bond acceptors: 2; (10) #H bond donors: 0 ; (11)#Freely Rotating Bonds: 0; (12) Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.583; (14) Molar Refractivity: 44.59 cm³; (15) Molar Volume: 133.3 cm³; (16) Surface Tension: 44.2 dyne/cm; (17) Density: 1.2 g/cm³; (18) Flash Point: 127.1 °C; (19) Enthalpy of Vaporization: 55.11 kJ/mol; (20) Boiling Point: 310.3 °C at 760 mmHg; (21) Vapour Pressure: 0.000607 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2Oc1cccc(c1\C=C\2)C
(2) InChI: InChI=1/C10H8O2/c1-7-3-2-4-9-8(7)5-6-10(11)12-9/h2-6H,1H3
(3) InChIKey: FXMGSXNQELBPMX-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	261mg/kg (261mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.

Product Name

5-methyl-2H-chromen-2-one

5-Methylchromen-2-one Specification

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