Cas no 162707-38-2 (Benzene, 1-methoxy-2-(3-pentenyl)-)
162707-38-2 structure
Product Name:Benzene, 1-methoxy-2-(3-pentenyl)-
CAS No:162707-38-2
MF:C12H16O
MW:176.254843711853
CID:1345954
PubChem ID:54456634
Update Time:2025-04-20
Benzene, 1-methoxy-2-(3-pentenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methoxy-2-(3-pentenyl)-
- 1-methoxy-2-pent-3-enylbenzene
- 1-METHOXY-2-(PENT-3-EN-1-YL)BENZENE
- DTXSID00711467
- 162707-38-2
-
- Inchi： 1S/C12H16O/c1-3-4-5-8-11-9-6-7-10-12(11)13-2/h3-4,6-7,9-10H,5,8H2,1-2H3
- InChI Key： WYQMDXRQABZGPT-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC=CC=1CCC=CC
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-methoxy-2-(3-pentenyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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