Cas no 56002-81-4 (1,2-Benzenediol, 3,4,6-trimethoxy- (9CI))
56002-81-4 structure
Product Name:1,2-Benzenediol, 3,4,6-trimethoxy- (9CI)
CAS No:56002-81-4
MF:C9H12O5
MW:200.188583374023
CID:944780
PubChem ID:45092896
Update Time:2025-04-19
1,2-Benzenediol, 3,4,6-trimethoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3,4,6-trimethoxy- (9CI)
- SCHEMBL70823
- DB-267286
- 3,4,6-trimethoxybenzene-1,2-diol
- WPLWNUNZSLWPJE-UHFFFAOYSA-N
- 1,2-Benzenediol, 3,4,6-trimethoxy-
- 56002-81-4
-
- Inchi： 1S/C9H12O5/c1-12-5-4-6(13-2)9(14-3)8(11)7(5)10/h4,10-11H,1-3H3
- InChI Key： WPLWNUNZSLWPJE-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C(=CC=1OC)OC)O)O
Computed Properties
- Exact Mass: 200.068
- Monoisotopic Mass: 200.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 68.2A^2
- XLogP3: 1.1
1,2-Benzenediol, 3,4,6-trimethoxy- (9CI) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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