Cas no 61999-29-9 ((2s)-ethyl-4-methyl-3,5-oxazolinecarboxylate)
61999-29-9 structure
Product Name:(2s)-ethyl-4-methyl-3,5-oxazolinecarboxylate
CAS No:61999-29-9
MF:C7H11NO3
MW:157.167142152786
CID:955948
PubChem ID:538229
Update Time:2025-04-19
(2s)-ethyl-4-methyl-3,5-oxazolinecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- (2s)-ethyl-4-methyl-3,5-oxazolinecarboxylate
- 4-oxazole<wbr>
- Ethyl (4S)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
- LogP
- 2-methyl-4,5-dihydrooxazole-4-carboxylic acid ethyl ester
- AB14234
- 4-Ethoxycarbonyl-2-methyl-2-oxazoline
- A836352
- Ethyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate #
- 68683-04-5
- ethyl (4S)-2-methyl-4,5-dihydrooxazole-4-carboxylate
- ethyl 2-methyl-4,5-dihydrooxazole-4-carboxylate
- Ethyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
- DA-03603
- 61999-29-9
- SCHEMBL6602372
- CPCNDUSWYOZLDS-UHFFFAOYSA-N
-
- Inchi： 1S/C7H11NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h6H,3-4H2,1-2H3
- InChI Key： CPCNDUSWYOZLDS-UHFFFAOYSA-N
- SMILES： O1C(C)=NC(C(=O)OCC)C1
Computed Properties
- Exact Mass: 157.07393
- Monoisotopic Mass: 157.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 188
- 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: 0.3
- Topological Polar Surface Area: 47.9?2
Experimental Properties
- PSA: 47.89
(2s)-ethyl-4-methyl-3,5-oxazolinecarboxylate Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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