Cas no 57905-32-5 (Butanoic acid, 2-(aminomethylene)-3-oxo-, ethyl ester)
57905-32-5 structure
Product Name:Butanoic acid, 2-(aminomethylene)-3-oxo-, ethyl ester
CAS No:57905-32-5
MF:C7H11NO3
MW:157.167142152786
CID:1607482
PubChem ID:136776859
Update Time:2025-04-21
Butanoic acid, 2-(aminomethylene)-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-(aminomethylene)-3-oxo-, ethyl ester
- ETHYL (2E)-2-ACETYL-3-AMINOACRYLATE
- 100643-05-8
- Ethyl 2-aminomethylene-3-oxobutanoate
- DB-142018
- AB72206
- 57905-32-5
-
- Inchi： 1S/C7H11NO3/c1-3-11-7(10)6(4-8)5(2)9/h4,8-9H,3H2,1-2H3
- InChI Key： GGNGWQCOLPTAFF-UHFFFAOYSA-N
- SMILES： O(C(C(C=N)=C(C)O)=O)CC
Computed Properties
- Exact Mass: 157.07393
- Monoisotopic Mass: 157.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 70.4?2
Experimental Properties
- PSA: 69.39
Butanoic acid, 2-(aminomethylene)-3-oxo-, ethyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
57905-32-5 (Butanoic acid, 2-(aminomethylene)-3-oxo-, ethyl ester) Related Products
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