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CAS No.: | 206353-40-4 |
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Name: | 3,4-DIHYDRO-3-(IODOMETHYL)-2H-1-BENZOPYRAN |
Molecular Structure: | |
Formula: | C10H11IO |
Molecular Weight: | 274.1 |
Synonyms: | 3,4-Dihydro-3-(iodomethyl)-2h-1-benzopyran; |
Density: | 1.639 g/cm3 |
Boiling Point: | 320.8 °C at 760 mmHg |
Flash Point: | 147.8 °C |
PSA: | 9.23000 |
LogP: | 2.67270 |
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The CAS register number of 2H-1-Benzopyran,3,4-dihydro-3-(iodomethyl)- is 206353-40-4. It also can be called as 3,4-Dihydro-3-(iodomethyl)-2h-1-benzopyran and the systematic name about this chemical is 3-(iodomethyl)-3,4-dihydro-2H-chromene. The molecular formula about this chemical is C10H11IO and the molecular weight is 274.1.
Physical properties about 2H-1-Benzopyran,3,4-dihydro-3-(iodomethyl)- are: (1)ACD/LogP: 3.79; (2)ACD/LogD (pH 5.5): 3.79; (3)ACD/LogD (pH 7.4): 3.79; (4)ACD/BCF (pH 5.5): 449.73; (5)ACD/BCF (pH 7.4): 449.73; (6)ACD/KOC (pH 5.5): 2757.95; (7)ACD/KOC (pH 7.4): 2757.95; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 57.69 cm3; (13)Molar Volume: 167.1 cm3; (14)Polarizability: 22.87x10-24cm3; (15)Surface Tension: 46.4 dyne/cm; (16)Density: 1.639 g/cm3; (17)Flash Point: 147.8 °C; (18)Enthalpy of Vaporization: 54.01 kJ/mol; (19)Boiling Point: 320.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000584 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICC1Cc2c(OC1)cccc2
(2)InChI: InChI=1/C10H11IO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8H,5-7H2
(3)InChIKey: SVXBJCBLQVTJJO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H11IO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8H,5-7H2
(5)Std. InChIKey: SVXBJCBLQVTJJO-UHFFFAOYSA-N