CAS No.101713-87-5,8-Iodo-4-chromanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101713-87-5
Name:	8-Iodo-4-chromanone

Formula:	C₉H₇IO₂
Molecular Weight:	274.058
Synonyms:	8-Iodo-4-Chromanone;
Density:	1.879 g/cm³
Boiling Point:	359.135 °C at 760 mmHg
Flash Point:	170.999 °C
PSA:	26.30000
LogP:	2.25640

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Specification

The 4H-1-Benzopyran-4-one,2,3-dihydro-8-iodo-, with the CAS registry number of 101713-87-5, is also known as 8-Iodo-4-Chromanone. Its molecular formula is C₉H₇IO₂ and molecular weight is 274.05515. What's more, its systematic name is 8-Iodochroman-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,2,3-dihydro-8-iodo- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.166; (4)ACD/LogD (pH 7.4): 3.166; (5)ACD/BCF (pH 5.5): 150.082; (6)ACD/BCF (pH 7.4): 150.082; (7)ACD/KOC (pH 5.5): 1257.261; (8)ACD/KOC (pH 7.4): 1257.261; (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: 1.648; (14)Molar Refractivity: 53.07 cm³; (15)Molar Volume: 145.876 cm³; (16)Surface Tension: 52.133 dyne/cm; (17)Density: 1.879 g/cm³; (18)Flash Point: 170.999 °C; (19)Enthalpy of Vaporization: 60.47 kJ/mol; (20)Boiling Point: 359.135 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(c(c1)I)OCCC2=O
(2) InChI: InChI=1/C9H7IO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
(3) InChIKey: CEYSCNMVDXJFMW-UHFFFAOYAZ