Cas no 147631-33-2 ([1,1'-Biphenyl]-2,2',5-triol,5'-methyl-)
![[1,1'-Biphenyl]-2,2',5-triol,5'-methyl- structure](https://ossimg.kuujia.com/scimg/148000/147631-33-2x500.png)
147631-33-2 structure
Product Name:[1,1'-Biphenyl]-2,2',5-triol,5'-methyl-
CAS No:147631-33-2
MF:C13H12O3
MW:216.232583999634
CID:100726
Update Time:2024-01-24
[1,1'-Biphenyl]-2,2',5-triol,5'-methyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-2,2',5-triol,5'-methyl-
- [1,1-Biphenyl]-2,2,5-triol,5-methyl-(9CI)
- [1,1'-Biphenyl]-2,2',5-triol, 5'-methyl-
-
- Inchi： 1S/C13H12O3/c1-8-2-4-12(15)10(6-8)11-7-9(14)3-5-13(11)16/h2-7,14-16H,1H3
- InChI Key： XHKBLIKNZVKFJL-UHFFFAOYSA-N
- SMILES： C1(C2=CC(C)=CC=C2O)=CC(O)=CC=C1O
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 307
- 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
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: 0.2
Experimental Properties
- Density: 1.300±0.06 g/cm3(Predicted)
- Boiling Point: 415.9±45.0 °C(Predicted)
- pka: 9?+-.0.43(Predicted)
[1,1'-Biphenyl]-2,2',5-triol,5'-methyl- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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