Cas no 89611-02-9 (Benzoic acid, 3-hydroxy-5-(methylamino)-, hydrochloride)
89611-02-9 structure
Product Name:Benzoic acid, 3-hydroxy-5-(methylamino)-, hydrochloride
CAS No:89611-02-9
MF:C8H10ClNO3
MW:203.622901439667
CID:594873
PubChem ID:70476614
Update Time:2025-04-19
Benzoic acid, 3-hydroxy-5-(methylamino)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-hydroxy-5-(methylamino)-, hydrochloride
- 3-hydroxy-5-(methylamino)benzoic acid,hydrochloride
- 3-Hydroxy-5-(methylamino)benzoic acid--hydrogen chloride (1/1)
- SCHEMBL10935483
- 89611-02-9
- DTXSID30742082
-
- Inchi： 1S/C8H9NO3.ClH/c1-9-6-2-5(8(11)12)3-7(10)4-6;/h2-4,9-10H,1H3,(H,11,12);1H
- InChI Key： ANMNOARWGQLKAB-UHFFFAOYSA-N
- SMILES： Cl.OC1C=C(C(=O)O)C=C(C=1)NC
Computed Properties
- Exact Mass: 203.0349209g/mol
- Monoisotopic Mass: 203.0349209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 172
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.6?2
Benzoic acid, 3-hydroxy-5-(methylamino)-, hydrochloride Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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