Cas no 820237-82-9 (Pentanoic acid, 5-(6-formyl-2-methyl-3-propoxyphenoxy)-)
820237-82-9 structure
Product Name:Pentanoic acid, 5-(6-formyl-2-methyl-3-propoxyphenoxy)-
CAS No:820237-82-9
MF:C16H22O5
MW:294.342885494232
CID:700601
PubChem ID:71420406
Update Time:2025-04-19
Pentanoic acid, 5-(6-formyl-2-methyl-3-propoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 5-(6-formyl-2-methyl-3-propoxyphenoxy)-
- 5-(6-formyl-2-methyl-3-propoxyphenoxy)pentanoic acid
- 820237-82-9
- 5-(6-formyl-2-methyl-3-propoxy-phenoxy)-pentanoic acid
- YJPFELVTWVTZME-UHFFFAOYSA-N
- SCHEMBL5445536
- DTXSID40839598
-
- Inchi： 1S/C16H22O5/c1-3-9-20-14-8-7-13(11-17)16(12(14)2)21-10-5-4-6-15(18)19/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)
- InChI Key： YJPFELVTWVTZME-UHFFFAOYSA-N
- SMILES： O(C1C(C=O)=CC=C(C=1C)OCCC)CCCCC(=O)O
Computed Properties
- Exact Mass: 294.14672380g/mol
- Monoisotopic Mass: 294.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 10
- Complexity: 318
- 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: 2.8
- Topological Polar Surface Area: 72.8?2
Pentanoic acid, 5-(6-formyl-2-methyl-3-propoxyphenoxy)- Related Literature
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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