Cas no 75144-20-6 (Benzoic acid,3,5-diamino-2-hydroxy-4-methyl-, methyl ester)
75144-20-6 structure
Product Name:Benzoic acid,3,5-diamino-2-hydroxy-4-methyl-, methyl ester
CAS No:75144-20-6
MF:C9H12N2O3
MW:196.203182220459
CID:558046
PubChem ID:12746259
Update Time:2025-04-19
Benzoic acid,3,5-diamino-2-hydroxy-4-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-diamino-2-hydroxy-4-methyl-, methyl ester
- Benzoic acid, 3,5-diamino-2-hydroxy-4-methyl-, methyl ester (9CI)
- methyl 3,5-diamino-2-hydroxy-4-methylbenzoate
- DTXSID20508750
- 75144-20-6
-
- Inchi： 1S/C9H12N2O3/c1-4-6(10)3-5(9(13)14-2)8(12)7(4)11/h3,12H,10-11H2,1-2H3
- InChI Key： IYXCSRRYDQIICX-UHFFFAOYSA-N
- SMILES： OC1=C(C(=O)OC)C=C(C(C)=C1N)N
Computed Properties
- Exact Mass: 196.08479225g/mol
- Monoisotopic Mass: 196.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- 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
- Topological Polar Surface Area: 98.6?2
Benzoic acid,3,5-diamino-2-hydroxy-4-methyl-, methyl ester Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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