Cas no 89847-71-2 (Benzoic acid, 2-amino-4,5-dimethoxy-, hydrochloride)
89847-71-2 structure
Product Name:Benzoic acid, 2-amino-4,5-dimethoxy-, hydrochloride
CAS No:89847-71-2
MF:C9H12ClNO4
MW:233.648881912231
CID:587117
PubChem ID:12196196
Update Time:2025-04-19
Benzoic acid, 2-amino-4,5-dimethoxy-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-amino-4,5-dimethoxy-, hydrochloride
- 2-amino-4,5-dimethoxybenzoic acid,hydrochloride
- DTXSID90479983
- SCHEMBL5012089
- 89847-71-2
-
- Inchi： 1S/C9H11NO4.ClH/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;/h3-4H,10H2,1-2H3,(H,11,12);1H
- InChI Key： LUGHKFPFTDUIQC-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1=CC(C(=O)O)=C(C=C1OC)N
Computed Properties
- Exact Mass: 233.0454856g/mol
- Monoisotopic Mass: 233.0454856g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 209
- 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: 81.8?2
Benzoic acid, 2-amino-4,5-dimethoxy-, hydrochloride Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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