Cas no 114142-13-1 (Pentanal, 4-(phenylmethoxy)-)
Pentanal, 4-(phenylmethoxy)- structure
Product Name:Pentanal, 4-(phenylmethoxy)-
CAS No:114142-13-1
MF:C12H16O2
MW:192.254243850708
CID:1201650
PubChem ID:13411951
Update Time:2025-04-20
Pentanal, 4-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanal, 4-(phenylmethoxy)-
- 4-phenylmethoxypentanal
- 114142-13-1
- SCHEMBL18595449
- DTXSID80539964
- 4-(Benzyloxy)pentanal
-
- Inchi： 1S/C12H16O2/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3
- InChI Key： NZQZEYKPLUFQLF-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(C)CCC=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 150
- 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: 1.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Pentanal, 4-(phenylmethoxy)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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