Cas no 27979-20-0 (1,3,6-Trimethylpyrene)
1,3,6-Trimethylpyrene structure
Product Name:1,3,6-Trimethylpyrene
CAS No:27979-20-0
MF:C19H16
MW:244.330345153809
CID:2839032
PubChem ID:71356221
Update Time:2025-04-21
1,3,6-Trimethylpyrene Chemical and Physical Properties
Names and Identifiers
-
- 27979-20-0
- DTXSID30780368
- DTXCID10731111
- 1,3,6-TRIMETHYLPYRENE
- 1,3,6-Trimethylpyrene
-
- Inchi： 1S/C19H16/c1-11-4-5-14-6-7-16-12(2)10-13(3)17-9-8-15(11)18(14)19(16)17/h4-10H,1-3H3
- InChI Key： OHLGABWSGVZMGT-UHFFFAOYSA-N
- SMILES： C12C3=CC=C4C=CC(C)=C(C=CC1=C(C)C=C3C)C=24
Computed Properties
- Exact Mass: 244.125200510g/mol
- Monoisotopic Mass: 244.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 346
- 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: 6.1
- Topological Polar Surface Area: 0?2
1,3,6-Trimethylpyrene Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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