Cas no 668971-57-1 (3-Isoxazolecarboxylic acid, 5-(3-methoxyphenyl)-, ethyl ester)
668971-57-1 structure
Product Name:3-Isoxazolecarboxylic acid, 5-(3-methoxyphenyl)-, ethyl ester
CAS No:668971-57-1
MF:C13H13NO4
MW:247.246623754501
MDL:MFCD11217218
CID:964859
PubChem ID:53439047
Update Time:2025-09-27
3-Isoxazolecarboxylic acid, 5-(3-methoxyphenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylic acid, 5-(3-methoxyphenyl)-, ethyl ester
- 5-(3-METHOXYPHENYL)-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
- ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
- 668971-57-1
- MFCD11217218
- SY267673
- 3-isoxazolecarboxylic acid,5-(3-methoxyphenyl)-,ethyl ester
- DTXSID90701690
- Ethyl 5-(3-methoxyphenyl)isoxazole-3-carboxylate
- G78988
-
- MDL： MFCD11217218
- Inchi： 1S/C13H13NO4/c1-3-17-13(15)11-8-12(18-14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3
- InChI Key： IYVNNFAVPARPGW-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(=O)OCC)=N1)C1C=CC=C(C=1)OC
Computed Properties
- Exact Mass: 247.08449
- Monoisotopic Mass: 247.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 284
- 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: 61.6?2
Experimental Properties
- PSA: 61.56
3-Isoxazolecarboxylic acid, 5-(3-methoxyphenyl)-, ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1197275-1g |
Ethyl 5-(3-Methoxyphenyl)isoxazole-3-carboxylate |
668971-57-1 | 95% | 1g |
$980 | 2024-07-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1594989-1g |
Ethyl 5-(3-methoxyphenyl)isoxazole-3-carboxylate |
668971-57-1 | 98% | 1g |
￥10320.00 | 2024-05-04 | |
| eNovation Chemicals LLC | Y1197275-1g |
Ethyl 5-(3-Methoxyphenyl)isoxazole-3-carboxylate |
668971-57-1 | 95% | 1g |
$980 | 2025-02-28 | |
| eNovation Chemicals LLC | Y1197275-1g |
Ethyl 5-(3-Methoxyphenyl)isoxazole-3-carboxylate |
668971-57-1 | 95% | 1g |
$980 | 2025-02-22 |
3-Isoxazolecarboxylic acid, 5-(3-methoxyphenyl)-, ethyl ester Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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