Cas no 769876-12-2 (1,3-Benzenediol,5-amino-4,6-dimethoxy-(9CI))
769876-12-2 structure
Product Name:1,3-Benzenediol,5-amino-4,6-dimethoxy-(9CI)
CAS No:769876-12-2
MF:C8H11NO4
MW:185.177242517471
CID:551224
Update Time:2023-03-29
1,3-Benzenediol,5-amino-4,6-dimethoxy-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenediol,5-amino-4,6-dimethoxy-
- 1,3-Benzenediol,5-amino-4,6-dimethoxy-(9CI)
- 1,3-Benzenediol, 5-amino-4,6-dimethoxy-
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- Inchi： 1S/C8H11NO4/c1-12-7-4(10)3-5(11)8(13-2)6(7)9/h3,10-11H,9H2,1-2H3
- InChI Key： JYCJWZNVXSQIQV-UHFFFAOYSA-N
- SMILES： C1(O)=C(OC)C(N)=C(OC)C(O)=C1
Computed Properties
- Exact Mass: 185.069
- Monoisotopic Mass: 185.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 150
- 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
- Topological Polar Surface Area: 84.9A^2
1,3-Benzenediol,5-amino-4,6-dimethoxy-(9CI) Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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