Cas no 91819-10-2 (Benzoic acid,2-amino-4-ethoxy-3-hydroxy-, methyl ester)
91819-10-2 structure
Product Name:Benzoic acid,2-amino-4-ethoxy-3-hydroxy-, methyl ester
CAS No:91819-10-2
MF:C10H13NO4
MW:211.214523077011
CID:800155
Update Time:2024-02-01
Benzoic acid,2-amino-4-ethoxy-3-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,2-amino-4-ethoxy-3-hydroxy-, methyl ester
- Anthranilic acid, 4-ethoxy-3-hydroxy-, methyl ester (7CI)
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- Inchi： 1S/C10H13NO4/c1-3-15-7-5-4-6(10(13)14-2)8(11)9(7)12/h4-5,12H,3,11H2,1-2H3
- InChI Key： QNMGCCUKDPSIEI-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C1=CC=C(OCC)C(O)=C1N
Computed Properties
- Exact Mass: 211.084
- Monoisotopic Mass: 211.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 222
- 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
- Topological Polar Surface Area: 81.8A^2
Benzoic acid,2-amino-4-ethoxy-3-hydroxy-, methyl ester Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
91819-10-2 (Benzoic acid,2-amino-4-ethoxy-3-hydroxy-, methyl ester) Related Products
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