Cas no 76625-61-1 ([1,1-Biphenyl]-2,2,4,4,5,5-hexol(9CI))
![[1,1-Biphenyl]-2,2,4,4,5,5-hexol(9CI) structure](https://ossimg.kuujia.com/scimg/77000/76625-61-1x500.png)
76625-61-1 structure
Product Name:[1,1-Biphenyl]-2,2,4,4,5,5-hexol(9CI)
CAS No:76625-61-1
MF:C12H10O6
MW:250.204204082489
CID:561699
PubChem ID:23424584
Update Time:2025-04-19
[1,1-Biphenyl]-2,2,4,4,5,5-hexol(9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,1-Biphenyl]-2,2,4,4,5,5-hexol(9CI)
- 2,2',4,4',5,5'-Hexahydroxybiphenyl
- 5-(2,4,5-trihydroxyphenyl)benzene-1,2,4-triol
- 76625-61-1
- [1,1'-Biphenyl]-2,2',4,4',5,5'-hexol
- DTXSID60633974
-
- Inchi： 1S/C12H10O6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4,13-18H
- InChI Key： LTEUTZMVCRCJOV-UHFFFAOYSA-N
- SMILES： OC1C=C(C(=CC=1C1C=C(C(=CC=1O)O)O)O)O
Computed Properties
- Exact Mass: 250.0477
- Monoisotopic Mass: 250.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 258
- 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: 1.4
- Topological Polar Surface Area: 121?2
Experimental Properties
- PSA: 121.38
[1,1-Biphenyl]-2,2,4,4,5,5-hexol(9CI) Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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