Cas no 59-07-4 (Benzoic acid, 4-amino-2-ethoxy-)
59-07-4 structure
Product Name:Benzoic acid, 4-amino-2-ethoxy-
CAS No:59-07-4
MF:C9H11NO3
MW:181.188542604446
CID:339960
PubChem ID:10176385
Update Time:2025-04-19
Benzoic acid, 4-amino-2-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-amino-2-ethoxy-
- 59-07-4
- CHEMBL3278348
- 2-ethoxy-4-amino-benzoic acid
- 4-Amino-2-ethoxybenzoicacid
- FHMHTWLZOLQIFY-UHFFFAOYSA-N
- AKOS013368569
- 4-Amino-2-ethoxybenzoic acid
- DTXSID30436414
- SCHEMBL578910
- 2-Ethoxy-4-aminobenzoic acid
-
- Inchi: 1S/C9H11NO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
- InChI Key: FHMHTWLZOLQIFY-UHFFFAOYSA-N
- SMILES: O(CC)C1C=C(C=CC=1C(=O)O)N
Computed Properties
- Exact Mass: 181.07393
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 184
- 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
- Topological Polar Surface Area: 72.6?2
Experimental Properties
- PSA: 72.55
Benzoic acid, 4-amino-2-ethoxy- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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