Cas no 91569-56-1 (4-Isoxazolecarboxylicacid, 3-methyl-5-(2-methylphenyl)-)
91569-56-1 structure
Product Name:4-Isoxazolecarboxylicacid, 3-methyl-5-(2-methylphenyl)-
CAS No:91569-56-1
MF:C12H11NO3
MW:217.220643281937
CID:799906
PubChem ID:28275769
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 3-methyl-5-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-methyl-5-(2-methylphenyl)-
- 3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxylic acid
- 4-Isoxazolecarboxylicacid,3-methyl-5-o-tolyl-(7CI)
- SCHEMBL12691873
- 91569-56-1
- DTXSID40651196
- 3-Methyl-5-(o-tolyl)isoxazole-4-carboxylic acid
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- Inchi： 1S/C12H11NO3/c1-7-5-3-4-6-9(7)11-10(12(14)15)8(2)13-16-11/h3-6H,1-2H3,(H,14,15)
- InChI Key： GXPKKFHAXHDUPI-UHFFFAOYSA-N
- SMILES： O1C(=C(C(=O)O)C(C)=N1)C1C=CC=CC=1C
Computed Properties
- Exact Mass: 217.07389321g/mol
- Monoisotopic Mass: 217.07389321g/mol
- 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: 2.3
- Topological Polar Surface Area: 63.3?2
4-Isoxazolecarboxylicacid, 3-methyl-5-(2-methylphenyl)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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