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Name |
6-Aminocoumarin coumarin-3-carboxylic acid salt |
EINECS | N/A |
CAS No. | 2448-39-7 | Density | 1.4714 (rough estimate) |
PSA | 123.74000 | LogP | 3.44760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C19H13NO6 | Boiling Point | 388.6 °C at 760 mmHg |
Molecular Weight | 351.315 | Flash Point | 162.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ester with 5-aminocoumarin;6-aminochromen-2-one; 2-oxochromene-3-carboxylic acid; |
The CAS registry number of 6-Aminocoumarin coumarin-3-carboxylic acid salt is 2448-39-7. The IUPAC name is 6-aminochromen-2-one; 2-oxochromene-3-carboxylic acid. In addition, the molecular formula is C19H13NO6 and the molecular weight is 351.31. It should be stored in a cool and dry place.
Physical properties about 6-Aminocoumarin coumarin-3-carboxylic acid salt are: (1)ACD/LogP: 1.61; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 52.6 Å2; (6)Flash Point: 162.7 °C; (7)Enthalpy of Vaporization: 67.28 kJ/mol; (8)Boiling Point: 388.6 °C at 760 mmHg; (9)Vapour Pressure: 9.77E-07 mmHg at 25°C; (10)H-Bond Donor: 2; (11)H-Bond Acceptor: 7; (12)Rotatable Bond Count: 1; (13)Exact Mass: 351.074287; (14)MonoIsotopic Mass: 351.074287; (15)Topological Polar Surface Area: 116; (16)Heavy Atom Count: 26; (17)Complexity: 530.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1ccc(N)cc1\C=C\2.O=C(O)C\1=C\c2c(OC/1=O)cccc2
(2)InChI: InChI=1/C10H6O4.C9H7NO2/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H,11,12);1-5H,10H2
(3)InChIKey: JNQXDXADJGHJDK-UHFFFAOYAZ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 103mg/kg (103mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 1124, 1963. | |
mouse | LD50 | subcutaneous | 55mg/kg (55mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 1124, 1963. |