Cas no 87901-90-4 (5-Chrysenecarboxaldehyde, 8-methoxy-)
87901-90-4 structure
Product Name:5-Chrysenecarboxaldehyde, 8-methoxy-
CAS No:87901-90-4
MF:C20H14O2
MW:286.323965549469
CID:650870
PubChem ID:13202083
Update Time:2025-04-19
5-Chrysenecarboxaldehyde, 8-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-Chrysenecarboxaldehyde, 8-methoxy-
- 8-methoxychrysene-5-carbaldehyde
- 87901-90-4
- DTXSID20527082
-
- Inchi： 1S/C20H14O2/c1-22-16-7-9-17-14(11-16)10-15(12-21)20-18-5-3-2-4-13(18)6-8-19(17)20/h2-12H,1H3
- InChI Key： SXYARFYCYJLPSC-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2C(C=1)=CC(C=O)=C1C3C=CC=CC=3C=CC1=2
Computed Properties
- Exact Mass: 286.099379685g/mol
- Monoisotopic Mass: 286.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 407
- 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: 5.1
- Topological Polar Surface Area: 26.3?2
5-Chrysenecarboxaldehyde, 8-methoxy- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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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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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
87901-90-4 (5-Chrysenecarboxaldehyde, 8-methoxy-) Related Products
- 1189441-55-1(4-Anisaldehyde-13C6)
- 15971-29-6(4-methoxynaphthalene-1-carbaldehyde)
- 95537-93-2(Anisaldehyde-13C)
- 90381-44-5(4,7-Dimethoxy-1-naphthaldehyde)
- 3453-33-6(6-methoxynaphthalene-2-carbaldehyde)
- 123-11-5(p-Methoxybenzaldehyde)
- 158365-55-0(7-methoxynaphthalene-1-carbaldehyde)
- 69833-11-0(4,8-dimethoxynaphthalene-1-carbaldehyde)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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