Cas no 85909-53-1 (octahydro-4,7-methano-1H-indene-5-methyl acetate)
85909-53-1 structure
Product Name:octahydro-4,7-methano-1H-indene-5-methyl acetate
CAS No:85909-53-1
MF:C13H20O2
MW:362.61552g/mol
CID:730210
PubChem ID:102269130
Update Time:2024-03-01
octahydro-4,7-methano-1H-indene-5-methyl acetate Chemical and Physical Properties
Names and Identifiers
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- 4,7-Methano-1H-indene-5-methanol,octahydro-, 5-acetate
- Octahydro-4,7-methano-1H-indene-5-methyl acetate
- Acetic acid (octahydro4,7-methano-1H-inden)-5-ylmethyl ester
- CID 102269130
- Einecs 288-857-9
- octahydro-4,7-methano-1H-indene-5-methyl acetate
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- Inchi: 1S/C13H20O2/c1-8(14)15-7-10-5-9-6-13(10)12-4-2-3-11(9)12/h9-13H,2-7H2,1H3
- InChI Key: NZRPNXAEGFLETH-UHFFFAOYSA-N
- SMILES: O(C(C)=O)CC1CC2CC1C1CCCC12
Computed Properties
- Exact Mass: 362.27557
- Monoisotopic Mass: 362.27557
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 274
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.2
octahydro-4,7-methano-1H-indene-5-methyl acetate Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
85909-53-1 (octahydro-4,7-methano-1H-indene-5-methyl acetate) Related Products
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