Cas no 10127-55-6 (4,5-Phenanthrenediol)
4,5-Phenanthrenediol structure
Product Name:4,5-Phenanthrenediol
CAS No:10127-55-6
MF:C14H10O2
MW:210.228003978729
CID:209914
PubChem ID:298903
Update Time:2025-04-19
4,5-Phenanthrenediol Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Phenanthrenediol
- 4,5-Dihydroxy-phenanthren
- 4,5-dihydroxyphenanthrene
- AC1L6TTP
- AC1Q794R
- CTK0I1462
- NSC171268
- phenanthrene-4,5-diol
- NSC-171268
- 10127-55-6
- DTXSID10305619
- SCHEMBL7126508
-
- Inchi： 1S/C14H10O2/c15-11-5-1-3-9-7-8-10-4-2-6-12(16)14(10)13(9)11/h1-8,15-16H
- InChI Key： TWTDMNQJLRKNLJ-UHFFFAOYSA-N
- SMILES： OC1=CC=CC2=CC=C3C=CC=C(C3=C21)O
Computed Properties
- Exact Mass: 210.0681
- Monoisotopic Mass: 210.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 227
- 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: 3.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.36
- Boiling Point: 475°Cat760mmHg
- Flash Point: 240.3°C
- Refractive Index: 1.794
- PSA: 40.46
- LogP: 3.40420
4,5-Phenanthrenediol Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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