Cas no 67411-86-3 (5-hydroxymethylchrysene)
5-hydroxymethylchrysene structure
Product Name:5-hydroxymethylchrysene
5-hydroxymethylchrysene Chemical and Physical Properties
Names and Identifiers
-
- 5-hydroxymethylchrysene
- chrysen-5-ylmethanol
- CHEMBL3230487
- SCHEMBL4630262
- BRN 2123396
- DTXSID80217770
- 67411-86-3
- 5-(Hydroxymethyl)chrysene
- 5-CHRYSENEMETHANOL
- CCRIS 2539
-
- Inchi： 1S/C19H14O/c20-12-15-11-14-6-2-3-7-16(14)18-10-9-13-5-1-4-8-17(13)19(15)18/h1-11,20H,12H2
- InChI Key： IBPJJMOCMKEXHI-UHFFFAOYSA-N
- SMILES： OCC1C=C2C=CC=CC2=C2C=CC3C=CC=CC=3C2=1
Computed Properties
- Exact Mass: 258.104465
- Monoisotopic Mass: 258.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 339
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 4.8
Experimental Properties
- Density: 1.256
- Boiling Point: 514.1°C at 760 mmHg
- Flash Point: 227.5°C
- Refractive Index: 1.779
5-hydroxymethylchrysene Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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