Cas no 2938-49-0 (Benzenepentanoic acid, a,a-dimethyl-d-oxo-)
2938-49-0 structure
Product Name:Benzenepentanoic acid, a,a-dimethyl-d-oxo-
CAS No:2938-49-0
MF:C13H16O3
MW:220.264344215393
CID:287138
PubChem ID:298879
Update Time:2025-04-19
Benzenepentanoic acid, a,a-dimethyl-d-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanoic acid, a,a-dimethyl-d-oxo-
- 2,2-dimethyl-5-oxo-5-phenylpentanoic acid
- 2.2-Dimethyl-4-benzoylbuttersaeure
- 4-Benzoyl-2,2-dimethyl-buttersaeure
- AC1L6TSD
- NSC171231
- 2938-49-0
- DTXSID00305603
- NSC-171231
-
- Inchi： 1S/C13H16O3/c1-13(2,12(15)16)9-8-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)
- InChI Key： GFSBTKQESZRYHB-UHFFFAOYSA-N
- SMILES： OC(C(C)(C)CCC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 262
- 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: 2.3
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 2.76030
Benzenepentanoic acid, a,a-dimethyl-d-oxo- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
2938-49-0 (Benzenepentanoic acid, a,a-dimethyl-d-oxo-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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