Cas no 27841-29-8 (1,2,3-Benzenetriol, 4,6-diamino-)
27841-29-8 structure
Product Name:1,2,3-Benzenetriol, 4,6-diamino-
CAS No:27841-29-8
MF:C6H8N2O3
MW:156.139321327209
CID:251439
Update Time:2024-01-26
1,2,3-Benzenetriol, 4,6-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetriol, 4,6-diamino-
- 1,3-Diamino-4,5,6-trihydroxybenzene
- Pyrogallol,4,6-diamino- (8CI)
- 1,2,3-Benzenetriol, 4,6-diamino-
-
- Inchi： 1S/C6H8N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h1,9-11H,7-8H2
- InChI Key： KRUMIMIXPBQODK-UHFFFAOYSA-N
- SMILES： C1(O)=C(N)C=C(N)C(O)=C1O
Computed Properties
- Exact Mass: 156.053
- Monoisotopic Mass: 156.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 130
- 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: 113A^2
1,2,3-Benzenetriol, 4,6-diamino- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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