Cas no 112921-72-9 (5-Isoxazolecarboxylic acid, 3-(3,4-dimethylphenyl)-)
112921-72-9 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(3,4-dimethylphenyl)-
CAS No:112921-72-9
MF:C12H11NO3
MW:217.220643281937
CID:3621817
PubChem ID:28799715
Update Time:2025-08-02
5-Isoxazolecarboxylic acid, 3-(3,4-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylic acid, 3-(3,4-dimethylphenyl)-
- 3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
- EN300-380463
- 112921-72-9
-
- Inchi： 1S/C12H11NO3/c1-7-3-4-9(5-8(7)2)10-6-11(12(14)15)16-13-10/h3-6H,1-2H3,(H,14,15)
- InChI Key： XKAGFJGWDGTYHO-UHFFFAOYSA-N
- SMILES： O1C(C(O)=O)=CC(C2=CC=C(C)C(C)=C2)=N1
Computed Properties
- Exact Mass: 217.07389321Da
- Monoisotopic Mass: 217.07389321Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 269
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 63.3?2
5-Isoxazolecarboxylic acid, 3-(3,4-dimethylphenyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-380463-0.05g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 0.05g |
$827.0 | 2023-06-02 | ||
| Enamine | EN300-380463-0.1g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 0.1g |
$867.0 | 2023-06-02 | ||
| Enamine | EN300-380463-0.25g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 0.25g |
$906.0 | 2023-06-02 | ||
| Enamine | EN300-380463-0.5g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 0.5g |
$946.0 | 2023-06-02 | ||
| Enamine | EN300-380463-1.0g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 1g |
$986.0 | 2023-06-02 | ||
| Enamine | EN300-380463-2.5g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 2.5g |
$1931.0 | 2023-06-02 | ||
| Enamine | EN300-380463-5.0g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 5g |
$2858.0 | 2023-06-02 | ||
| Enamine | EN300-380463-10.0g |
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid |
112921-72-9 | 10g |
$4236.0 | 2023-06-02 |
5-Isoxazolecarboxylic acid, 3-(3,4-dimethylphenyl)- Related Literature
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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