Cas no 123558-80-5 (2,3-Dibenzofurandiol,6,7,8,9-tetrahydro-)
123558-80-5 structure
Product Name:2,3-Dibenzofurandiol,6,7,8,9-tetrahydro-
CAS No:123558-80-5
MF:C12H12O3
MW:204.221883773804
CID:104073
PubChem ID:97550295
Update Time:2025-04-18
2,3-Dibenzofurandiol,6,7,8,9-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Dibenzofurandiol,6,7,8,9-tetrahydro-
- 2,3-Dibenzofurandiol, 6,7,8,9-tetrahydro- (9CI)
- 6,7,8,9-Tetrahydrodibenzo[b,d]furan-1,2-diol
- 123558-80-5
-
- Inchi： 1S/C12H12O3/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h5-6,13-14H,1-4H2
- InChI Key： RNDHOMFQVWNJQM-UHFFFAOYSA-N
- SMILES： O1C2C=CC(=C(C=2C2=C1CCCC2)O)O
Computed Properties
- Exact Mass: 206.09432
- Monoisotopic Mass: 204.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 243
- 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: 53.6A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 49.69
2,3-Dibenzofurandiol,6,7,8,9-tetrahydro- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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
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