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CAS No.: | 26227-45-2 |
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Name: | 3-(p-Propoxyphenyl)-2-propenehydroxamic acid |
Molecular Structure: | |
Formula: | C12H15NO3 |
Molecular Weight: | 221.25 |
Synonyms: | Cinnamohydroxamicacid, p-propoxy- (8CI);p-Propoxycinnamohydroxamic acid;3-(p-Propoxyphenyl)-2-propenehydroxamic acid; |
Density: | 1.159 g/cm3 |
PSA: | 62.05000 |
LogP: | 2.83430 |
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The 2-Propenamide,N-hydroxy-3-(4-propoxyphenyl)-, with the CAS registry number 26227-45-2, is also known as 3-(p-Propoxyphenyl)-2-propenehydroxamic acid. This chemical's molecular formula is C12H15NO3 and molecular weight is 221.25. What's more, its systematic name is (2E)-N-Hydroxy-3-(4-propoxyphenyl)prop-2-enamide. Its classification code is Drug / Therapeutic Agent.
Physical properties of 2-Propenamide,N-hydroxy-3-(4-propoxyphenyl)- are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 91.16; (6)ACD/BCF (pH 7.4): 88.13; (7)ACD/KOC (pH 5.5): 879.81; (8)ACD/KOC (pH 7.4): 850.51; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 63.24 cm3; (15)Molar Volume: 190.8 cm3; (16)Polarizability: 25.07×10-24 cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.159 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NO)\C=C\c1ccc(OCCC)cc1
(2)InChI: InChI=1S/C12H15NO3/c1-2-9-16-11-6-3-10(4-7-11)5-8-12(14)13-15/h3-8,15H,2,9H2,1H3,(H,13,14)/b8-5+
(3)InChIKey: GDGHIDZSGIYVRJ-VMPITWQZSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1670 mg/kg (1670 mg/kg) | Journal of Medicinal Chemistry. Vol. 13, Pg. 211, 1970. |