Products Categories
| CAS No.: | 93041-44-2 |
|---|---|
| Name: | 3-(2-Methoxyphenyl)-5-methyl-2,3-dihydroisoxazole-4-carboxylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C12H13NO4 |
| Molecular Weight: | 233.224 |
| Synonyms: | 4-Isoxazolecarboxylicacid, 3-(o-methoxyphenyl)-5-methyl- (7CI);4-isoxazolecarboxylic acid, 2,3-dihydro-3-(2-methoxyphenyl)-5-methyl-;3-(2-Methoxyphenyl)-5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid; |
| Density: | 1.268 g/cm3 |
| Boiling Point: | 362.6 °C at 760 mmHg |
| Flash Point: | 173.1 °C |
| PSA: | 72.56000 |
| LogP: | 2.35680 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
- 946052-36-41-Butyl-3-methylpyridinium methanesulfonate
- 942196-38-51-Hexyl-3-methylpyridinium hexafluorophosphat
- 936239-96-24-methyl-1-octylpyridinium tetrafluoroborate(1-)
- 943976-22-5Mefway
- Total:20 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 3-(2-Methoxyphenyl)-5-methyl-2,3-dihydroisoxazole-4-carboxylic acid, with the CAS registry number 93041-44-2, has the systematic name of 4-isoxazolecarboxylic acid, 2,3-dihydro-3-(2-methoxyphenyl)-5-methyl. And the molecular formula of the chemical is C12H13NO4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/BCF (pH 5.5): 4.82; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 56.69; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 67.79 Å2; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 60.32 cm3; (14)Molar Volume: 185.4 cm3; (15)Polarizability: 23.91×10-24cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.268 g/cm3; (18)Flash Point: 173.1 °C; (19)Enthalpy of Vaporization: 64.21 kJ/mol; (20)Boiling Point: 362.6 °C at 760 mmHg; (21)Vapour Pressure: 6.81E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1=C(C(NO1)c2ccccc2OC)C(=O)O
(2)InChI: InChI=1/C12H13NO4/c1-7-10(12(14)15)11(13-17-7)8-5-3-4-6-9(8)16-2/h3-6,11,13H,1-2H3,(H,14,15)
(3)InChIKey: ZYSPUBDATORSTC-UHFFFAOYAK