Cas no 58861-77-1 (4-Oxazolecarboxylic acid, 4,5-dihydro-, methyl ester (9CI))
58861-77-1 structure
Product Name:4-Oxazolecarboxylic acid, 4,5-dihydro-, methyl ester (9CI)
CAS No:58861-77-1
MF:C5H7NO3
MW:129.113981485367
CID:949123
PubChem ID:13995392
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 4,5-dihydro-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 4,5-dihydro-, methyl ester (9CI)
- 4,5-dihydro-oxazole-4-carboxylic acid methyl ester
- A933998
- 58861-77-1
- SCHEMBL5901781
- METHYL 4,5-DIHYDRO-1,3-OXAZOLE-4-CARBOXYLATE
-
- Inchi： 1S/C5H7NO3/c1-8-5(7)4-2-9-3-6-4/h3-4H,2H2,1H3
- InChI Key： MCCWTHZNQPICAI-UHFFFAOYSA-N
- SMILES： O1C=NC(C(=O)OC)C1
Computed Properties
- Exact Mass: 129.042593085g/mol
- Monoisotopic Mass: 129.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 47.9?2
4-Oxazolecarboxylic acid, 4,5-dihydro-, methyl ester (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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