Scopoletin acetate supplier | CasNO.56795-51-8

Name
Scopoletin acetate
EINECS
CAS No. 56795-51-8
Density 1.31 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀O₅
Boiling Point 379.414 °C at 760 mmHg
Molecular Weight 234.208
Flash Point 170.518 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms O-Acetyl-afromosin;Afrormosin-monoacetat;7-acetoxy-6-methoxycoumarin;O-Acetyl-afrormosin;7-O-Acetyl-scopoletin;Afrormosinacetat;7-O-acetylafrormosin;Scopoletin-acetat;Isoflavone,7-hydroxy-4',6-dimethoxy-,acetate;7-acetoxy-6-methoxy-chromen-2-one;7-Hydroxy-4',6-dimethoxyisoflavone acetate;Afromosin-acetat;7-O-acetylafromosin;7-O-Ac-afromosin;7-Acetoxy-6,4'-dimethoxy-isoflavon;7-Acetoxy-6-methoxy-cumarin;
PSA 65.74000
LogP 1.72690

Scopoletin acetate Specification

The CAS registry number of Scopoletin acetate is 56795-51-8. This chemical's molecular formula is C₁₂H₁₀O₅ and molecular weight is 234.2048. What's more, its systematic name is called 6-Methoxy-2-oxo-2H-chromen-7-yl acetate.

Physical properties about Scopoletin acetate are: (1)ACD/LogP: 1.23; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 61.83 Å²; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 57.786 cm³; (9)Molar Volume: 178.728 cm³; (10)Surface Tension: 47.056 dyne/cm; (11)Density: 1.31 g/cm³; (12)Flash Point: 170.518 °C; (13)Enthalpy of Vaporization: 62.743 kJ/mol; (14)Boiling Point: 379.414 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc2c(OC)cc\1c(OC(=O)/C=C/1)c2)C
(2) InChI: InChI=1/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
(3) InChIKey: HYCLWDHZALFLJV-UHFFFAOYAX

Product Name

Scopoletin acetate

Scopoletin acetate Specification

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