Cas no 80067-65-8 (1,4-Benzenedimethanol, 2,3-dihydroxy-)
80067-65-8 structure
Product Name:1,4-Benzenedimethanol, 2,3-dihydroxy-
CAS No:80067-65-8
MF:C8H10O4
MW:170.162602901459
CID:583641
PubChem ID:12689042
Update Time:2025-04-19
1,4-Benzenedimethanol, 2,3-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedimethanol, 2,3-dihydroxy-
- 3,6-bis(hydroxymethyl)benzene-1,2-diol
- SCHEMBL2514718
- DTXSID80506954
- 80067-65-8
-
- Inchi： 1S/C8H10O4/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-2,9-12H,3-4H2
- InChI Key： IRAUDRRFZKQQNF-UHFFFAOYSA-N
- SMILES： OC1C(=C(CO)C=CC=1CO)O
Computed Properties
- Exact Mass: 170.05790880g/mol
- Monoisotopic Mass: 170.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 123
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 80.9?2
1,4-Benzenedimethanol, 2,3-dihydroxy- 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
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
80067-65-8 (1,4-Benzenedimethanol, 2,3-dihydroxy-) Related Products
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