Cas no 2294-88-4 (3-Butyl-1H-indene)
3-Butyl-1H-indene structure
Product Name:3-Butyl-1H-indene
CAS No:2294-88-4
MF:C13H16
MW:172.266143798828
CID:2836829
PubChem ID:13330204
Update Time:2025-04-21
3-Butyl-1H-indene Chemical and Physical Properties
Names and Identifiers
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- 2294-88-4
- DTXSID80537046
- DTXCID80487835
- 3-Butyl-1H-indene
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- Inchi： 1S/C13H16/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12/h4-5,7-9H,2-3,6,10H2,1H3
- InChI Key： XSXQCNPTMDUCFF-UHFFFAOYSA-N
- SMILES： C1(=CCC2C=CC=CC1=2)CCCC
Computed Properties
- Exact Mass: 172.125200510Da
- Monoisotopic Mass: 172.125200510Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 190
- 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: 4.1
- Topological Polar Surface Area: 0?2
3-Butyl-1H-indene Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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