Cas no 835594-26-8 (Benzoic acid, 4-[5-(methoxymethyl)-3-isoxazolyl]-, methyl ester)
![Benzoic acid, 4-[5-(methoxymethyl)-3-isoxazolyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/836000/835594-26-8x500.png)
835594-26-8 structure
Product Name:Benzoic acid, 4-[5-(methoxymethyl)-3-isoxazolyl]-, methyl ester
CAS No:835594-26-8
MF:C13H13NO4
MW:247.246623754501
CID:669708
PubChem ID:71415128
Update Time:2025-04-19
Benzoic acid, 4-[5-(methoxymethyl)-3-isoxazolyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[5-(methoxymethyl)-3-isoxazolyl]-, methyl ester
- methyl 4-[5-(methoxymethyl)-1,2-oxazol-3-yl]benzoate
- 835594-26-8
- DTXSID00834549
-
- Inchi： 1S/C13H13NO4/c1-16-8-11-7-12(14-18-11)9-3-5-10(6-4-9)13(15)17-2/h3-7H,8H2,1-2H3
- InChI Key： HSUXGZAKBFUSSD-UHFFFAOYSA-N
- SMILES： O1C(COC)=CC(C2C=CC(C(=O)OC)=CC=2)=N1
Computed Properties
- Exact Mass: 247.08445790g/mol
- 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: 276
- 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: 1.6
- Topological Polar Surface Area: 61.6?2
Benzoic acid, 4-[5-(methoxymethyl)-3-isoxazolyl]-, methyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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