Cas no 101913-71-7 (Benzenepropanoic acid, b-methyl-b-(3-methylbutyl)-)
101913-71-7 structure
Product Name:Benzenepropanoic acid, b-methyl-b-(3-methylbutyl)-
CAS No:101913-71-7
MF:C15H22O2
MW:234.333984851837
CID:168704
PubChem ID:59083
Update Time:2025-04-19
Benzenepropanoic acid, b-methyl-b-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, b-methyl-b-(3-methylbutyl)-
- 3,6-Dimethyl-3-phenylheptanoic acid
- 3,6-dimethyl-3-phenyl-heptanoic acid
- AC1L1QFB
- AC1Q5VAN
- ACMC-1BSO1
- CTK4A0397
- HEPTANOIC ACID, 3,6-DIMETHYL-3-PHENYL-
- Hydrocinnamic acid, beta-isopentyl-beta-methyl-
- 101913-71-7
- DTXSID50906806
-
- Inchi： 1S/C15H22O2/c1-12(2)9-10-15(3,11-14(16)17)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,16,17)
- InChI Key： YIHLJIOCTULOLG-UHFFFAOYSA-N
- SMILES： OC(CC(C)(C1C=CC=CC=1)CCC(C)C)=O
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 241
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 4.4
Experimental Properties
- Density: 1.002
- Boiling Point: 343.7°Cat760mmHg
- Flash Point: 240.6°C
- Refractive Index: 1.505
- PSA: 37.3
- LogP: 3.85520
Benzenepropanoic acid, b-methyl-b-(3-methylbutyl)- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
101913-71-7 (Benzenepropanoic acid, b-methyl-b-(3-methylbutyl)-) Related Products
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