Cas no 56630-77-4 (8-Methyl-13-phenyl-3-tridecanone)
56630-77-4 structure
Product Name:8-Methyl-13-phenyl-3-tridecanone
CAS No:56630-77-4
MF:C20H32O
MW:288.467486381531
CID:2188020
Update Time:2023-08-05
8-Methyl-13-phenyl-3-tridecanone Chemical and Physical Properties
Names and Identifiers
-
- 8-Methyl-13-phenyl-3-tridecanone
- 8-methyl-13-phenyltridecan-3-one
- MUWXVKWCQUTCPT-UHFFFAOYSA-N
-
- Inchi： 1S/C20H32O/c1-3-20(21)17-11-10-13-18(2)12-6-4-7-14-19-15-8-5-9-16-19/h5,8-9,15-16,18H,3-4,6-7,10-14,17H2,1-2H3
- InChI Key： MUWXVKWCQUTCPT-UHFFFAOYSA-N
- SMILES： O=C(CC)CCCCC(C)CCCCCC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 253
- Topological Polar Surface Area: 17.1
8-Methyl-13-phenyl-3-tridecanone Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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