Cas no 661458-28-2 (Ethyl 3-methoxy-5-cyanobenzoate)
661458-28-2 structure
Product Name:Ethyl 3-methoxy-5-cyanobenzoate
CAS No:661458-28-2
MF:C11H11NO3
MW:205.209943056107
CID:68569
PubChem ID:53401265
Update Time:2025-04-18
Ethyl 3-methoxy-5-cyanobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-methoxy-5-cyanobenzoate
- ethyl 3-cyano-5-methoxybenzoate
- Benzoic acid,3-cyano-5-methoxy-,methyl ester
- Methyl3-Cyano-5-methoxybenzoate
- 1-Cbz-3-(methylamino)piperidine
- FT-0759207
- DTXSID30694875
- 661458-28-2
-
- Inchi： 1S/C11H11NO3/c1-3-15-11(13)9-4-8(7-12)5-10(6-9)14-2/h4-6H,3H2,1-2H3
- InChI Key： GGUMQTRVPNLXEF-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C#N)C=C(C=1)OC)=O
Computed Properties
- Exact Mass: 205.07400
- Monoisotopic Mass: 205.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 268
- 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: 1.8
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32000
- LogP: 1.74358
Ethyl 3-methoxy-5-cyanobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015023476-1g |
Methyl 3-cyano-5-methoxybenzoate |
661458-28-2 | 97% | 1g |
$1564.50 | 2023-09-01 |
Ethyl 3-methoxy-5-cyanobenzoate Related Literature
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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
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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