Cas no 86954-77-0 (NISTC86954770)
NISTC86954770 structure
Product Name:NISTC86954770
NISTC86954770 Chemical and Physical Properties
Names and Identifiers
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- DTXSID001007215
- 5-methyl-1,2,3,4,5,6,7,8-octahydro-1,4-methanonaphthalene
- 86954-77-0
- 1,4-Methanonaphthalene, 1,2,3,4,5,6,7,8-octahydro-5-methyl-
- NISTC86954770
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- Inchi: 1S/C12H18/c1-8-3-2-4-11-9-5-6-10(7-9)12(8)11/h8-10H,2-7H2,1H3
- InChI Key: OFFBVHGPEBVOQQ-UHFFFAOYSA-N
- SMILES: C12CCC(C3CCCC(C)C1=3)C2
Computed Properties
- Exact Mass: 162.140850574g/mol
- Monoisotopic Mass: 162.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 0?2
NISTC86954770 Related Literature
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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