Isobergapten supplier | CasNO.482-48-4

Name
Isobergapten
EINECS
CAS No. 482-48-4
Density 1.368 g/cm³
Solubility
Melting Point 222°C
Formula C₁₂H₈O₄
Boiling Point 412.4 °C at 760 mmHg
Molecular Weight 216.193
Flash Point 203.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Benzofuranacrylicacid, 4-hydroxy-6-methoxy-, d-lactone (7CI);Isobergapten (6CI);5-Methoxyangelicin;Isobergaptene;
PSA 52.58000
LogP 2.54780

Isobergapten Specification

This chemical is called 2H-Furo[2,3-h]-1-benzopyran-2-one,5-methoxy-, and its systematic name is 5-methoxy-2H-furo[2,3-h]chromen-2-one. With the molecular formula of C₁₂H₈O₄, its molecular weight is 216.19. The CAS registry number of this chemical is 482-48-4.

Other characteristics of the 2H-Furo[2,3-h]-1-benzopyran-2-one,5-methoxy- can be summarised as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.46; (6)ACD/BCF (pH 7.4): 35.46; (7)ACD/KOC (pH 5.5): 447.6; (8)ACD/KOC (pH 7.4): 447.6; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.67 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 56.58 cm³; (15)Molar Volume: 158 cm³; (16)Polarizability: 22.43×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 203.2 °C; (20)Enthalpy of Vaporization: 66.5 kJ/mol; (21)Boiling Point: 412.4 °C at 760 mmHg; (22)Vapour Pressure: 5.2E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C\2Oc3c1ccoc1cc(OC)c3/C=C/2
2.InChI: InChI=1/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3
3.InChIKey: AJSPSRWWZBBIOR-UHFFFAOYAU

Product Name

Isobergapten

Isobergapten Specification

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