Cas no 33142-23-3 (Ethyl -forMylcyanoacetate)
Ethyl -forMylcyanoacetate structure
Product Name:Ethyl -forMylcyanoacetate
CAS No:33142-23-3
MF:C6H7NO3
MW:141.124681711197
CID:1066882
PubChem ID:11008001
Update Time:2025-04-20
Ethyl -forMylcyanoacetate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl -forMylcyanoacetate
- ethyl α-formylcyanoacetate
- 3-oxo-2-cyanopropanoic acid ethyl ester
- SCHEMBL4530450
- Ethyl 2-cyano-3-oxopropanoate
- DB-254806
- 33142-23-3
- ROQPWWBEJSZQJD-UHFFFAOYSA-N
- Ethyl-formylcyanoacetate
-
- Inchi： 1S/C6H7NO3/c1-2-10-6(9)5(3-7)4-8/h4-5H,2H2,1H3
- InChI Key： ROQPWWBEJSZQJD-UHFFFAOYSA-N
- SMILES： O(C(C(C#N)C=O)=O)CC
Computed Properties
- Exact Mass: 141.04261
- Monoisotopic Mass: 141.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 179
- 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: 67.2?2
Experimental Properties
- PSA: 67.16
Ethyl -forMylcyanoacetate Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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