Cas no 780789-85-7 (7H-2,4a-Methanonaphthalen-7-one,octahydro-3-methylene-)
780789-85-7 structure
Product Name:7H-2,4a-Methanonaphthalen-7-one,octahydro-3-methylene-
CAS No:780789-85-7
MF:C12H16O
MW:176.254843711853
CID:553768
Update Time:2024-01-30
7H-2,4a-Methanonaphthalen-7-one,octahydro-3-methylene- Chemical and Physical Properties
Names and Identifiers
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- 7H-2,4a-Methanonaphthalen-7-one,octahydro-3-methylene-
- 7H-2,4a-Methanonaphthalen-7-one,octahydro-3-methylene-(9CI)
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- Inchi： 1S/C12H16O/c1-8-3-2-4-10-11(13)9-5-6-12(8,10)7-9/h9-10H,1-7H2
- InChI Key： SPFJRBBIIRQAFQ-UHFFFAOYSA-N
- SMILES： C1(=O)C2C3(CC1CC3)C(=C)CCC2
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 292
- 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
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- PSA: 17.07
7H-2,4a-Methanonaphthalen-7-one,octahydro-3-methylene- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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