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CAS No.: | 19063-57-1 |
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Name: | 7-AMINOCOUMARIN |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H7NO2 |
Molecular Weight: | 161.16 |
Synonyms: | Coumarin,7-amino- (8CI);7-amino coumarin;7-Amino-2H-1-benzopyran-2-one;7-amino-2h-chromen-2-one; |
Density: | 1.35 g/cm3 |
Melting Point: | 207-210°C |
Boiling Point: | 381.408 °C at 760 mmHg |
Flash Point: | 219.327 °C |
PSA: | 56.23000 |
LogP: | 1.95640 |
The 2H-1-Benzopyran-2-one,7-amino-, with the CAS registry number 19063-57-1, has the systematic name of 7-amino-2H-chromen-2-one. It belongs to the product category of Labeling and Diagnostics Reagents. And the molecular formula of this chemical is C9H7NO2. In addition, it is often used as fluorescent label.
The physical properties of 2H-1-Benzopyran-2-one,7-amino- are as following: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.349; (4)ACD/LogD (pH 7.4): 0.349; (5)ACD/BCF (pH 5.5): 1.085; (6)ACD/BCF (pH 7.4): 1.085; (7)ACD/KOC (pH 5.5): 36.893; (8)ACD/KOC (pH 7.4): 36.9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 44.003 cm3; (15)Molar Volume: 119.377 cm3; (16)Polarizability: 17.444×10-24cm3; (17)Surface Tension: 60.973 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 219.327 °C; (20)Enthalpy of Vaporization: 62.968 kJ/mol; (21)Boiling Point: 381.408 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1ccc(=O)o2)N
(2)Std. InChI: InChI=1S/C9H7NO2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H,10H2
(3)Std. InChIKey: RRHXPUCIXLAHIY-UHFFFAOYSA-N