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CAS No.: | 387335-31-1 |
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Name: | 1H-2-Benzopyran-4-ol (9CI) |
Molecular Structure: | |
Formula: | C9H8O2 |
Molecular Weight: | 148.161 |
Synonyms: | Isochroman-4-oneenol; |
Density: | 1.281 g/cm3 |
Boiling Point: | 296.2 °C at 760 mmHg |
Flash Point: | 144.8 °C |
PSA: | 29.46000 |
LogP: | 2.07320 |
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The 1H-2-Benzopyran-4-ol is an organic compound with the formula C9H8O2. The systematic name of this chemical is 1H-Isochromen-4-ol. With the CAS registry number 387335-31-1, it is also named as isochromen-4-ol. The product's category is Alcohol.
Physical properties about 1H-2-Benzopyran-4-ol are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 35.79; (5)ACD/BCF (pH 7.4): 35.79; (6)ACD/KOC (pH 5.5): 450.64; (7)ACD/KOC (pH 7.4): 450.54; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.46 Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 41.22 cm3; (14)Molar Volume: 115.5 cm3; (15)Polarizability: 16.34×10-24cm3; (16)Surface Tension: 54.3 dyne/cm; (17)Density: 1.281 g/cm3; (18)Flash Point: 144.8 °C; (19)Enthalpy of Vaporization: 56.6 kJ/mol; (20)Boiling Point: 296.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000657 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)COC=C2O
(2)InChI: InChI=1/C9H8O2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,6,10H,5H2
(3)InChIKey: FQFFRSWXEVWMRK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H8O2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,6,10H,5H2
(5)Std. InChIKey: FQFFRSWXEVWMRK-UHFFFAOYSA-N