Cas no 833445-83-3 (3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, 2-propenyl ester)
833445-83-3 structure
Product Name:3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, 2-propenyl ester
CAS No:833445-83-3
MF:C8H9NO4
MW:183.161362409592
CID:673490
PubChem ID:69277018
Update Time:2025-04-19
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, 2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, 2-propenyl ester
- prop-2-enyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
- 3-allyloxycarbonyl-5-hydroxymethylisoxazol
- DTXSID50740161
- MEGJJGKEOJKEAW-UHFFFAOYSA-N
- 833445-83-3
- Allyl 5-(hydroxymethyl)isoxazole-3-carboxylate
- SCHEMBL5008652
- Prop-2-en-1-yl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
-
- Inchi： 1S/C8H9NO4/c1-2-3-12-8(11)7-4-6(5-10)13-9-7/h2,4,10H,1,3,5H2
- InChI Key： MEGJJGKEOJKEAW-UHFFFAOYSA-N
- SMILES： O1C(CO)=CC(C(=O)OCC=C)=N1
Computed Properties
- Exact Mass: 183.05315777g/mol
- Monoisotopic Mass: 183.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 195
- 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: 0.3
- Topological Polar Surface Area: 72.6?2
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, 2-propenyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
833445-83-3 (3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, 2-propenyl ester) Related Products
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