Cas no 71607-36-8 (Propanoic acid,3-(formylamino)-3-oxo-, ethyl ester)
71607-36-8 structure
Product Name:Propanoic acid,3-(formylamino)-3-oxo-, ethyl ester
CAS No:71607-36-8
MF:C6H9NO4
MW:159.139961957932
CID:568213
PubChem ID:3018176
Update Time:2025-04-19
Propanoic acid,3-(formylamino)-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(formylamino)-3-oxo-, ethyl ester
- ethyl 3-(formylamino)-3-oxopropionate
- ethyl 3-formamido-3-oxopropanoate
- ethyl 3-(formylamino)-3-oxopropanoate
- DTXSID90992162
- (3-Ethoxy-3-oxopropanoyl)methanimidic acid
- 71607-36-8
- EINECS 275-677-0
- NS00062840
-
- Inchi： 1S/C6H9NO4/c1-2-11-6(10)3-5(9)7-4-8/h4H,2-3H2,1H3,(H,7,8,9)
- InChI Key： HAWZIBYXLZLPNW-UHFFFAOYSA-N
- SMILES： O(C(CC(NC=O)=O)=O)CC
Computed Properties
- Exact Mass: 159.05317
- Monoisotopic Mass: 159.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 166
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: -0.3
- Topological Polar Surface Area: 72.5?2
Experimental Properties
- PSA: 72.47
Propanoic acid,3-(formylamino)-3-oxo-, ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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