Cas no 182067-64-7 (Benzoic acid,4-amino-2-ethoxy-3-hydroxy-, methyl ester)
182067-64-7 structure
Product Name:Benzoic acid,4-amino-2-ethoxy-3-hydroxy-, methyl ester
CAS No:182067-64-7
MF:C10H13NO4
MW:211.214523077011
CID:113773
PubChem ID:10560440
Update Time:2025-04-18
Benzoic acid,4-amino-2-ethoxy-3-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,4-amino-2-ethoxy-3-hydroxy-, methyl ester
- Benzoic acid, 4-amino-2-ethoxy-3-hydroxy-, methyl ester (9CI)
- Benzoic acid,4-amino-2-ethoxy-3-hydroxy-,methyl ester(9ci)
- 182067-64-7
- Methyl 4-amino-2-ethoxy-3-hydroxybenzoate
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- Inchi： 1S/C10H13NO4/c1-3-15-9-6(10(13)14-2)4-5-7(11)8(9)12/h4-5,12H,3,11H2,1-2H3
- InChI Key： YTBRAWSQPXNDME-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=C(C=CC=1C(=O)OC)N)O
Computed Properties
- Exact Mass: 211.08449
- Monoisotopic Mass: 211.08445790g/mol
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 81.8?2
Experimental Properties
- PSA: 81.78
Benzoic acid,4-amino-2-ethoxy-3-hydroxy-, methyl ester Related Literature
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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