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CAS No.: | 57543-63-2 |
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Name: | 5-Methoxy-2H-chromene-3-carboxylic acid |
Molecular Structure: | |
Formula: | C11H10O4 |
Molecular Weight: | 206.19 |
Synonyms: | 2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-; |
Density: | 1.332 g/cm3 |
Boiling Point: | 374.422 °C at 760 mmHg |
Flash Point: | 150.469 °C |
PSA: | 55.76000 |
LogP: | 1.55560 |
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5-Methoxy-2H-chromene-3-carboxylic acid is an organic compound with the formula C11H10O4, and its systematic name is the same with the product name. With the CAS registry number 57543-63-2, it is also named as 2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-. In addition, the molecular weight is 206.19.
Physical properties of 5-Methoxy-2H-chromene-3-carboxylic acid are: (1)ACD/LogP: 2.559; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 11.76; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.76 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 52.418 cm3; (15)Molar Volume: 154.843 cm3; (16)Polarizability: 20.78×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.332 g/cm3; (19)Flash Point: 150.469 °C; (20)Enthalpy of Vaporization: 65.597 kJ/mol; (21)Boiling Point: 374.422 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C\2=C\c1c(cccc1OC)OC/2
(2)Std. InChI: InChI=1S/C11H10O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-5H,6H2,1H3,(H,12,13)
(3)Std. InChIKey: FWQWIQPLYSRSDQ-UHFFFAOYSA-N