Name: KARANJIN
SKU: 521-88-0

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Basic Information

Molecular Structure:
CAS No.:	521-88-0
Name:	KARANJIN

Formula:	C₁₈H₁₂O₄
Molecular Weight:	292.291
Synonyms:	3-Methoxy-2-phenyl-4H-furo(2,3-h)(1)benzopyran-4-one;NSC 335755;
EINECS:	208-319-9
Density:	1.36 g/cm³
Melting Point:	156 °C
Boiling Point:	463.032 °C at 760 mmHg
Flash Point:	233.834 °C
PSA:	52.58000
LogP:	4.21480

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Specification

The Karanjin, with the CAS registry number 521-88-0, is also known as 3-Methoxy-2-phenyl-4H-furo(2,3-h)(1)benzopyran-4-one. It belongs to the product category of Flavanols. Its EINECS number is 208-319-9. This chemical's molecular formula is C₁₈H₁₂O₄ and molecular weight is 292.29. What's more, its systematic name is 3-Methoxy-2-phenyl-4H-furo[2,3-h]chromen-4-one. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from heat and fire.

Physical properties of Karanjin are: (1)ACD/LogP: 3.353; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 208.16; (6)ACD/BCF (pH 7.4): 208.16; (7)ACD/KOC (pH 5.5): 1588.95; (8)ACD/KOC (pH 7.4): 1588.95; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.67 Å²; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 81.027 cm³; (15)Molar Volume: 214.875 cm³; (16)Polarizability: 32.122×10^-24cm³; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 233.834 °C; (20)Enthalpy of Vaporization: 72.419 kJ/mol; (21)Boiling Point: 463.032 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C(\OC)=C(/Oc3c1ccoc1ccc23)c4ccccc4
(2)Std. InChI: InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3
(3)Std. InChIKey: LKPQNZRGGNOPPU-UHFFFAOYSA-N