Cas no 64977-25-9 (Chrysene,12-methoxy-5-methyl-)
Chrysene,12-methoxy-5-methyl- structure
Product Name:Chrysene,12-methoxy-5-methyl-
CAS No:64977-25-9
MF:C20H16O
MW:272.340445518494
CID:527440
PubChem ID:152757
Update Time:2025-04-19
Chrysene,12-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Chrysene,12-methoxy-5-methyl-
- 12-methoxy-5-methylchrysene
-
- Inchi: 1S/C20H16O/c1-13-11-14-7-3-4-8-15(14)18-12-19(21-2)16-9-5-6-10-17(16)20(13)18/h3-12H,1-2H3
- InChI Key: RMBKAVDXRULHKV-UHFFFAOYSA-N
- SMILES: O(C)C1=CC2=C3C=CC=CC3=CC(C)=C2C2C=CC=CC=21
Computed Properties
- Exact Mass: 272.12018
- Monoisotopic Mass: 272.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 365
- 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: 6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Chrysene,12-methoxy-5-methyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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