Cas no 64390-63-2 (Nonanal, 8-hydroxy-4,8-dimethyl-)
64390-63-2 structure
Product Name:Nonanal, 8-hydroxy-4,8-dimethyl-
CAS No:64390-63-2
MF:C11H22O2
MW:186.291183948517
CID:1682003
PubChem ID:71379946
Update Time:2025-04-21
Nonanal, 8-hydroxy-4,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Nonanal, 8-hydroxy-4,8-dimethyl-
- 8-hydroxy-4,8-dimethylnonanal
- 64390-63-2
- DTXSID60802481
-
- Inchi： 1S/C11H22O2/c1-10(7-5-9-12)6-4-8-11(2,3)13/h9-10,13H,4-8H2,1-3H3
- InChI Key： JMPNBHFVCCVJJZ-UHFFFAOYSA-N
- SMILES： OC(C)(C)CCCC(C)CCC=O
Computed Properties
- Exact Mass: 186.16206
- Monoisotopic Mass: 186.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Nonanal, 8-hydroxy-4,8-dimethyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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