Cas no 90271-40-2 (3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl-)
90271-40-2 structure
Product Name:3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl-
CAS No:90271-40-2
MF:C8H10N2O2
MW:166.177201747894
CID:798184
Update Time:2022-07-26
3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl-
- 3-Isoxazolecarboxamide,N-allyl-5-methyl-(7CI)
- N-allyl-5-methylisoxazole-3-carboxamide
- 3-Isoxazolecarboxamide, 5-methyl-N-2-propen-1-yl-
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- Inchi: 1S/C8H10N2O2/c1-3-4-9-8(11)7-5-6(2)12-10-7/h3,5H,1,4H2,2H3,(H,9,11)
- InChI Key: HZVMMUQWCDMUTK-UHFFFAOYSA-N
- SMILES: O1C(C)=CC(C(NCC=C)=O)=N1
Computed Properties
- Exact Mass: 166.074
- Monoisotopic Mass: 166.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 182
- 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: 1.1
- Topological Polar Surface Area: 55.1A^2
3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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