Cas no 84249-63-8 (5-Chrysenemethanol,7-hydroxy-12-methyl-)
84249-63-8 structure
Product Name:5-Chrysenemethanol,7-hydroxy-12-methyl-
CAS No:84249-63-8
MF:C20H16O2
MW:288.339845657349
CID:732272
PubChem ID:187412
Update Time:2025-04-19
5-Chrysenemethanol,7-hydroxy-12-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Chrysenemethanol,7-hydroxy-12-methyl-
- 11-(hydroxymethyl)-6-methylchrysen-1-ol
- 5-Chrysenemethanol, 7-hydroxy-12-methyl-
- DTXSID701004498
- 84249-63-8
-
- Inchi： 1S/C20H16O2/c1-12-9-18-15-7-4-8-19(22)17(15)10-13(11-21)20(18)16-6-3-2-5-14(12)16/h2-10,21-22H,11H2,1H3
- InChI Key： YDNBDOWZBSUPOB-UHFFFAOYSA-N
- SMILES： OCC1C=C2C(=CC=CC2=C2C=C(C)C3C=CC=CC=3C2=1)O
Computed Properties
- Exact Mass: 288.115
- Monoisotopic Mass: 288.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 395
- 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: 4.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.308
- Boiling Point: 581.4°Cat760mmHg
- Flash Point: 280.3°C
- Refractive Index: 1.785
5-Chrysenemethanol,7-hydroxy-12-methyl- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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