Cas no 61413-39-6 (5-methoxychrysene)
5-methoxychrysene structure
Product Name:5-methoxychrysene
CAS No:61413-39-6
MF:C19H14O
MW:258.313865184784
CID:1627235
PubChem ID:43637
Update Time:2025-04-21
5-methoxychrysene Chemical and Physical Properties
Names and Identifiers
-
- 5-methoxychrysene
- SCHEMBL25622471
- 61413-39-6
- BRN 2532031
- CHRYSENE, 5-METHOXY-
- DTXSID20210346
-
- Inchi： 1S/C19H14O/c1-20-18-12-14-7-3-4-8-15(14)17-11-10-13-6-2-5-9-16(13)19(17)18/h2-12H,1H3
- InChI Key： SSPVNLSBRPPPGN-UHFFFAOYSA-N
- SMILES： O(C)C1C=C2C=CC=CC2=C2C=CC3C=CC=CC=3C2=1
Computed Properties
- Exact Mass: 258.10452
- Monoisotopic Mass: 258.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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
- XLogP3: 5.6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.1220 (rough estimate)
- Melting Point: 142.5°C
- Boiling Point: 341.57°C (rough estimate)
- Refractive Index: 1.4500 (estimate)
- PSA: 9.23
5-methoxychrysene Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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