Cas no 392312-48-0 (Isoxazole,5-(methoxymethyl)-3-(1-methylethyl)-)
392312-48-0 structure
Product Name:Isoxazole,5-(methoxymethyl)-3-(1-methylethyl)-
CAS No:392312-48-0
MF:C8H13NO2
MW:155.194322347641
CID:299287
PubChem ID:4152608
Update Time:2025-04-19
Isoxazole,5-(methoxymethyl)-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,5-(methoxymethyl)-3-(1-methylethyl)-
- Isoxazole, 5-(methoxymethyl)-3-(1-methylethyl)- (9CI)
- AKOS024371687
- SCHEMBL13430904
- 392312-48-0
- 3-Isopropyl-5-(methoxymethyl)isoxazole
-
- Inchi: 1S/C8H13NO2/c1-6(2)8-4-7(5-10-3)11-9-8/h4,6H,5H2,1-3H3
- InChI Key: DCDHIZAVQWBSFD-UHFFFAOYSA-N
- SMILES: O1C(COC)=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 155.09469
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 117
- 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: 1.2
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 35.26
Isoxazole,5-(methoxymethyl)-3-(1-methylethyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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