Cas no 2977-39-1 (Benzenepropanoic acid, b-methyl-b-(1-methylethyl)-)
2977-39-1 structure
Product Name:Benzenepropanoic acid, b-methyl-b-(1-methylethyl)-
CAS No:2977-39-1
MF:C13H18O2
MW:206.280824184418
CID:277190
PubChem ID:351167
Update Time:2025-04-19
Benzenepropanoic acid, b-methyl-b-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, b-methyl-b-(1-methylethyl)-
- 2977-39-1
- DTXSID30325819
- NSC-519394
- 3,4-dimethyl-3-phenylpentanoic acid
- NSC519394
-
- Inchi： 1S/C13H18O2/c1-10(2)13(3,9-12(14)15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,15)
- InChI Key： JRGNTPMLTUAAQJ-UHFFFAOYSA-N
- SMILES： OC(CC(C)(C1C=CC=CC=1)C(C)C)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 217
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzenepropanoic acid, b-methyl-b-(1-methylethyl)- Related Literature
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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
2977-39-1 (Benzenepropanoic acid, b-methyl-b-(1-methylethyl)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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