Cas no 663157-48-0 (Nonanoic acid, 9-(4-formylphenoxy)-, methyl ester)
663157-48-0 structure
Product Name:Nonanoic acid, 9-(4-formylphenoxy)-, methyl ester
CAS No:663157-48-0
MF:C17H24O4
MW:292.370065689087
CID:1707503
PubChem ID:71375122
Update Time:2025-04-21
Nonanoic acid, 9-(4-formylphenoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanoic acid, 9-(4-formylphenoxy)-, methyl ester
- methyl 9-(4-formylphenoxy)nonanoate
- DTXSID30797875
- 663157-48-0
-
- Inchi： 1S/C17H24O4/c1-20-17(19)8-6-4-2-3-5-7-13-21-16-11-9-15(14-18)10-12-16/h9-12,14H,2-8,13H2,1H3
- InChI Key： MKDGIDCEOCVHSR-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=CC=1)CCCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 292.16752
- Monoisotopic Mass: 292.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Nonanoic acid, 9-(4-formylphenoxy)-, methyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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