Cas no 3598-29-6 ([1,1-Biphenyl]-3,4,4-triol (9CI))
![[1,1-Biphenyl]-3,4,4-triol (9CI) structure](https://ossimg.kuujia.com/scimg/4000/3598-29-6x500.png)
3598-29-6 structure
Product Name:[1,1-Biphenyl]-3,4,4-triol (9CI)
CAS No:3598-29-6
MF:C12H10O3
MW:202.206003665924
CID:316201
PubChem ID:3014217
Update Time:2025-04-19
[1,1-Biphenyl]-3,4,4-triol (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,1-Biphenyl]-3,4,4-triol (9CI)
- [1,1'-Biphenyl]-3,4,4'-triol
- 4-(4-hydroxyphenyl)benzene-1,2-diol
- (1,1'-Biphenyl)-3,4,4'-triol
- 3,4,4'-Trihydroxybiphenyl
- Z1513824074
- UNII-Q54PL64OPW
- 3,4,4'-Biphenyltriol
- SCHEMBL1235644
- DTXSID30189534
- Q54PL64OPW
- 3598-29-6
- Q27287012
-
- Inchi： 1S/C12H10O3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7,13-15H
- InChI Key： CNIACUISPHFTGQ-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)C1C=CC(=CC=1)O)O
Computed Properties
- Exact Mass: 202.063
- Monoisotopic Mass: 202.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 199
- 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: 2.3
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- Density: 1.347
- Boiling Point: 416.5°C at 760 mmHg
- Flash Point: 210°C
- Refractive Index: 1.676
- PSA: 60.69
[1,1-Biphenyl]-3,4,4-triol (9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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