Cas no 64451-77-0 (2-[4-(3-Methylbutyl)phenyl]propanoic Acid)
![2-[4-(3-Methylbutyl)phenyl]propanoic Acid structure](https://ossimg.kuujia.com/scimg/64500/64451-77-0x500.png)
64451-77-0 structure
Product Name:2-[4-(3-Methylbutyl)phenyl]propanoic Acid
CAS No:64451-77-0
MF:C14H20O2
MW:220.307404518127
CID:499886
Update Time:2023-08-02
2-[4-(3-Methylbutyl)phenyl]propanoic Acid Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, a-methyl-4-(3-methylbutyl)-
- Benzeneacetic acid, -alpha--methyl-4-(3-methylbutyl)- (9CI)
- 2-(p-Isopentylphenyl)propionic acid
- Hydratropicacid, p-isopentyl- (7CI)
- L 128325
- 2-[4-(3-methylbutyl)phenyl]propanoic Acid
- 2-[4-(3-Methylbutyl)phenyl]propanoic Acid
-
- Inchi： 1S/C14H20O2/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14(15)16/h6-11H,4-5H2,1-3H3,(H,15,16)
- InChI Key： HHFVQOIVAHITEG-UHFFFAOYSA-N
- SMILES： OC(C(C)C1C=CC(=CC=1)CCC(C)C)=O
Computed Properties
- Exact Mass: 220.146
- Monoisotopic Mass: 220.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 215
- 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: 4
- Topological Polar Surface Area: 37.3
2-[4-(3-Methylbutyl)phenyl]propanoic Acid Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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