Cas no 90621-75-3 (1-Butyl-1,2-dihydronaphthalene)
90621-75-3 structure
Product Name:1-Butyl-1,2-dihydronaphthalene
CAS No:90621-75-3
MF:C14H18
MW:186.292724132538
CID:2812496
PubChem ID:71327513
Update Time:2025-04-21
1-Butyl-1,2-dihydronaphthalene Chemical and Physical Properties
Names and Identifiers
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- DTXSID20756577
- 90621-75-3
- 1-BUTYL-1,2-DIHYDRONAPHTHALENE
- 1-Butyl-1,2-dihydronaphthalene
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- Inchi： 1S/C14H18/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-6,8,10-12H,2-3,7,9H2,1H3
- InChI Key： ZIDCYKOQDVAKMQ-UHFFFAOYSA-N
- SMILES： C1(C2C=CC=CC=2C=CC1)CCCC
Computed Properties
- Exact Mass: 186.140850574g/mol
- Monoisotopic Mass: 186.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 0?2
1-Butyl-1,2-dihydronaphthalene Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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