Cas no 20914-87-8 (Propanimidic acid, 3-hydroxy-, ethyl ester)
20914-87-8 structure
Product Name:Propanimidic acid, 3-hydroxy-, ethyl ester
CAS No:20914-87-8
MF:C5H11NO2
MW:117.146341562271
CID:1397177
PubChem ID:12653319
Update Time:2025-04-20
Propanimidic acid, 3-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanimidic acid, 3-hydroxy-, ethyl ester
- 3-hydroxy-propionimidic acid ethyl ester
- 3-hydroxypropionimidic acid ethyl ester
- AKOS006292598
- SCHEMBL6167077
- 20914-87-8
- ETHYL 3-HYDROXYPROPANIMIDATE
- ethyl 3-hydroxypropanimidoate hydrochloride
- ALBB-033257
- DTXSID101309628
-
- MDL: MFCD06656678
- Inchi: 1S/C5H11NO2/c1-2-8-5(6)3-4-7/h6-7H,2-4H2,1H3
- InChI Key: NDMUXLZJBJGOSS-UHFFFAOYSA-N
- SMILES: O(CC)C(CCO)=N
Computed Properties
- Exact Mass: 117.07903
- Monoisotopic Mass: 117.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 72.8
- 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
- XLogP3: -0.2
- Topological Polar Surface Area: 53.3?2
Experimental Properties
- PSA: 53.31
Propanimidic acid, 3-hydroxy-, ethyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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