Cas no 22981-84-6 (2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one)
22981-84-6 structure
Product Name:2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one
CAS No:22981-84-6
MF:C10H12O
MW:148.201683044434
CID:912529
PubChem ID:261675
Update Time:2025-04-19
2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one
- (3aS*,4R*,7S*,7aR*)-2,3,4a,4,7,7a-hexahydro-4,7-methano-1H-inden-1-one
- 2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-inden-1-one
- 2,3,3a,4,7,7a-hexahydro-4,7-methanoinden-1-one
- 4,7-Methano-1H-inden-1-one,2,3,3a,4,7,7a-hexahydro
- endo-Tricyclo<5.2.1.02,6>-8-decen-3-on
- tricyclo<5.2.1.02,6>dec-3-en-9-one
- CHEMBL601548
- NSC-94570
- NSC94570
- DTXSID20865077
- 22981-84-6
- NDZKBCKGQBZZFM-UHFFFAOYSA-N
- GNF-Pf-2396
- 4,7-Methano-1H-inden-1-one, 2,3,3a,4,7,7a-hexahydro-
- DTXSID70294116
- SCHEMBL4951220
- NCIOpen2_001470
-
- Inchi： 1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10H,3-5H2
- InChI Key： NDZKBCKGQBZZFM-UHFFFAOYSA-N
- SMILES： O=C1CCC2C3C=CC(C3)C21
Computed Properties
- Exact Mass: 148.08900
- Monoisotopic Mass: 148.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 241
- 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: 1.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 1.78760
2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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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
22981-84-6 (2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one) Related Products
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