Cas no 94499-48-6 (Tricyclo[5.2.0.03,5]nonane-2,6-dione,(1a,3a,5a,7a)- (9CI))
94499-48-6 structure
Product Name:Tricyclo[5.2.0.03,5]nonane-2,6-dione,(1a,3a,5a,7a)- (9CI)
CAS No:94499-48-6
MF:C9H10O2
MW:150.174502849579
CID:809032
PubChem ID:144441
Update Time:2025-04-19
Tricyclo[5.2.0.03,5]nonane-2,6-dione,(1a,3a,5a,7a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Tricyclo[5.2.0.03,5]nonane-2,6-dione,(1a,3a,5a,7a)- (9CI)
- spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dione
- syn-Tricyclo[6.1.0.03,6]decane-3,7-dione
- 70705-73-6
- 94499-48-6
- YCOMZEIONMPCNR-UHFFFAOYSA-N
- Spiro(bicyclo(2.2.1)heptane-7,1'-cyclopropane)-2,3-dione
- Tricyclo[6.1.0.03,6]decane-3,7-dione
- SCHEMBL3166326
- syn-Tricyclo(6.1.0.03,6)decane-3,7-dione
- DTXSID40915482
-
- Inchi: 1S/C9H10O2/c10-7-5-1-2-6(8(7)11)9(5)3-4-9/h5-6H,1-4H2
- InChI Key: YCOMZEIONMPCNR-UHFFFAOYSA-N
- SMILES: O=C1C(C2CCC1C12CC1)=O
Computed Properties
- Exact Mass: 150.068079557g/mol
- Monoisotopic Mass: 150.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 239
- 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: 0.8
- Topological Polar Surface Area: 34.1?2
Tricyclo[5.2.0.03,5]nonane-2,6-dione,(1a,3a,5a,7a)- (9CI) Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
94499-48-6 (Tricyclo[5.2.0.03,5]nonane-2,6-dione,(1a,3a,5a,7a)- (9CI)) Related Products
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