Cas no 192632-33-0 (Benzoic acid,3-(formylamino)-, ethyl ester)
192632-33-0 structure
Product Name:Benzoic acid,3-(formylamino)-, ethyl ester
CAS No:192632-33-0
MF:C10H11NO3
MW:193.199242830276
CID:116201
Update Time:2024-01-24
Benzoic acid,3-(formylamino)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(formylamino)-, ethyl ester
- Benzoic acid, 3-(formylamino)-, ethyl ester (9CI)
- Benzoic acid, 3-(formylamino)-, ethyl ester
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- Inchi： 1S/C10H11NO3/c1-2-14-10(13)8-4-3-5-9(6-8)11-7-12/h3-7H,2H2,1H3,(H,11,12)
- InChI Key： GMAQAQXXDYLCJE-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C1=CC=CC(NC=O)=C1
Computed Properties
- Exact Mass: 193.07393
- Monoisotopic Mass: 193.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 206
- 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: 1.7
- Topological Polar Surface Area: 55.4A^2
Experimental Properties
- Density: 1.202±0.06 g/cm3(Predicted)
- Boiling Point: 372.4±25.0 °C(Predicted)
- PSA: 55.4
- pka: 14.59±0.70(Predicted)
Benzoic acid,3-(formylamino)-, ethyl ester Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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