Cas no 52497-79-7 ((e)-4-(4-dodecylphenyl)-4-oxobut-2-enoic Acid)
52497-79-7 structure
Product Name:(e)-4-(4-dodecylphenyl)-4-oxobut-2-enoic Acid
CAS No:52497-79-7
MF:C22H32O3
MW:344.487687110901
CID:937021
PubChem ID:5355260
Update Time:2025-04-19
(e)-4-(4-dodecylphenyl)-4-oxobut-2-enoic Acid Chemical and Physical Properties
Names and Identifiers
-
- (e)-4-(4-dodecylphenyl)-4-oxobut-2-enoic Acid
- AC1NS74X
- CHEMBL1806598
- NSC30659
- NSC-30659
- BDBM50604047
- 52497-79-7
- SCHEMBL6905318
- DTXSID90417921
-
- Inchi： 1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(23)17-18-22(24)25/h13-18H,2-12H2,1H3,(H,24,25)/b18-17+
- InChI Key： APVXBFBAVQYGRD-ISLYRVAYSA-N
- SMILES： O=C(/C=C/C(=O)O)C1C=CC(=CC=1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 344.23526
- Monoisotopic Mass: 344.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 14
- Complexity: 392
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.6
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 5.97350
(e)-4-(4-dodecylphenyl)-4-oxobut-2-enoic Acid Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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