Cas no 52171-92-3 (1,11-dimethylchrysene)
1,11-dimethylchrysene structure
Product Name:1,11-dimethylchrysene
1,11-dimethylchrysene Chemical and Physical Properties
Names and Identifiers
-
- 1,11-dimethylchrysene
- chrysene, 1,11-dimethyl-
- Dimethylchrysene, 1,11-
- DTXSID30200192
- 52171-92-3
- 5,7-Dimethylchrysene
- DB9GY4YM65
- DB-300825
-
- Inchi： 1S/C20H16/c1-13-6-5-9-17-18-11-10-15-7-3-4-8-16(15)20(18)14(2)12-19(13)17/h3-12H,1-2H3
- InChI Key： HCLIIKXGJGYUBQ-UHFFFAOYSA-N
- SMILES： C12C3C=CC=CC=3C=CC1=C1C=CC=C(C)C1=CC=2C
Computed Properties
- Exact Mass: 256.12528
- Monoisotopic Mass: 256.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- 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: 6.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.0840 (estimate)
- Melting Point: 196.4°C (estimate)
- Boiling Point: 479.58°C (rough estimate)
- Refractive Index: 1.7480 (estimate)
- PSA: 0
1,11-dimethylchrysene Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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