Cas no 87901-85-7 (5-Chrysenecarboxylic acid, 10-methoxy-, methyl ester)
87901-85-7 structure
Product Name:5-Chrysenecarboxylic acid, 10-methoxy-, methyl ester
CAS No:87901-85-7
MF:C21H16O3
MW:316.349946022034
CID:650875
PubChem ID:13202076
Update Time:2025-04-19
5-Chrysenecarboxylic acid, 10-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Chrysenecarboxylic acid, 10-methoxy-, methyl ester
- methyl 10-methoxychrysene-5-carboxylate
- DTXSID30527078
- 87901-85-7
-
- Inchi： 1S/C21H16O3/c1-23-18-9-5-7-14-12-17(21(22)24-2)20-15-8-4-3-6-13(15)10-11-16(20)19(14)18/h3-12H,1-2H3
- InChI Key： SHQQVFBVIJRHSV-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC2=CC(C(=O)OC)=C3C4C=CC=CC=4C=CC3=C21
Computed Properties
- Exact Mass: 316.109944368g/mol
- Monoisotopic Mass: 316.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 462
- 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: 5.5
- Topological Polar Surface Area: 35.5?2
5-Chrysenecarboxylic acid, 10-methoxy-, methyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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