Cas no 84249-61-6 ((11-methylchrysen-5-yl)methanol)
84249-61-6 structure
Product Name:(11-methylchrysen-5-yl)methanol
CAS No:84249-61-6
MF:C20H16O
MW:272.340445518494
CID:1822348
PubChem ID:190063
Update Time:2025-04-21
(11-methylchrysen-5-yl)methanol Chemical and Physical Properties
Names and Identifiers
-
- (11-methylchrysen-5-yl)methanol
- 84249-61-6
- 5-Chrysenemethanol, 11-methyl-
- DTXSID301004496
-
- Inchi： 1S/C20H16O/c1-13-10-14-6-2-5-9-18(14)20-16(12-21)11-15-7-3-4-8-17(15)19(13)20/h2-11,21H,12H2,1H3
- InChI Key： UPLRVHWMZFGYGK-UHFFFAOYSA-N
- SMILES： OCC1C=C2C=CC=CC2=C2C(C)=CC3C=CC=CC=3C2=1
Computed Properties
- Exact Mass: 272.120115130g/mol
- Monoisotopic Mass: 272.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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: 5.2
- Topological Polar Surface Area: 20.2?2
(11-methylchrysen-5-yl)methanol Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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