Cas no 15391-62-5 (5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro-)
15391-62-5 structure
Product Name:5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro-
5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro-
- benzo<6,7>bicyclo<3.2.1>octa-6-diene
- DTXSID00934876
- 15391-62-5
- 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro-
- 6,7,8,9-tetrahydro-5H-5,9-methanobenzo[7]annulene
-
- Inchi: 1S/C12H14/c1-2-7-12-10-5-3-4-9(8-10)11(12)6-1/h1-2,6-7,9-10H,3-5,8H2
- InChI Key: ZFJANHNOMPZUJM-UHFFFAOYSA-N
- SMILES: C12C3C=CC=CC=3C(CCC1)C2
Computed Properties
- Exact Mass: 158.10962
- Monoisotopic Mass: 158.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.035
- Boiling Point: 250.2°Cat760mmHg
- Flash Point: 97.7°C
- Refractive Index: 1.572
- PSA: 0
5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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