Cas no 162734-51-2 (4-Propylbenzenepentanoic acid)
4-Propylbenzenepentanoic acid structure
Product Name:4-Propylbenzenepentanoic acid
CAS No:162734-51-2
MF:C14H20O2
MW:220.307404518127
CID:2107249
Update Time:2023-08-03
4-Propylbenzenepentanoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-propylBenzenepentanoic acid
- 4-Propylbenzenepentanoic acid
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- Inchi： 1S/C14H20O2/c1-2-5-12-8-10-13(11-9-12)6-3-4-7-14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
- InChI Key： COYORTVDAYFNSV-UHFFFAOYSA-N
- SMILES： OC(CCCCC1C=CC(=CC=1)CCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 193
- XLogP3: 4
- Topological Polar Surface Area: 37.3
4-Propylbenzenepentanoic acid Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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