Cas no 6319-14-8 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-2,3,3a,4,7,7a-hexahydro-1h-4,7-methanoisoindole
- 6319-14-8
- NSC-31988
- NSC31988
- NSC-129691
- NSC129691
- SCHEMBL24034290
- DTXSID80283536
-
-
- Inchi： 1S/C10H15N/c1-11-5-9-7-2-3-8(4-7)10(9)6-11/h2-3,7-10H,4-6H2,1H3
- InChI Key： OAVLLIKEQACSRY-UHFFFAOYSA-N
- SMILES： N1(C)CC2C3C=CC(C3)C2C1
Computed Properties
- Exact Mass: 149.12055
- Monoisotopic Mass: 149.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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