Cas no 152590-27-7 (Butanedioic acid,2-phenyl-, 4-butyl ester)
152590-27-7 structure
Product Name:Butanedioic acid,2-phenyl-, 4-butyl ester
CAS No:152590-27-7
MF:C14H18O4
MW:250.290324687958
CID:105200
PubChem ID:13901146
Update Time:2025-04-18
Butanedioic acid,2-phenyl-, 4-butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-phenyl-, 4-butyl ester
- Butanedioic acid, phenyl-, 4-butyl ester (9CI)
- 152590-27-7
- 4-Butoxy-4-oxo-3-phenylbutanoic acid
-
- Inchi： 1S/C14H18O4/c1-2-3-9-18-14(17)12(10-13(15)16)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,16)
- InChI Key： YUGDDECNJJEXTO-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C(CC(=O)O)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 249.11271
- Monoisotopic Mass: 250.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 269
- 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: 2.5
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 66.43
Butanedioic acid,2-phenyl-, 4-butyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
152590-27-7 (Butanedioic acid,2-phenyl-, 4-butyl ester) Related Products
- 119-43-7(Ethyl 2-Phenylbutyrate)
- 5413-05-8(Ethyl 2-Phenylacetoacetate)
- 24817-51-4(FEMA 3632)
- 2294-71-5(Methyl 2-phenylbutanoate)
- 956-89-8(α,α-Diphenyl-γ-butyrolactone)
- 76-67-5(Diethyl ethylphenylmalonate)
- 1519-21-7(Benzeneacetic acid, a-ethyl-, 1,1'-anhydride)
- 1131-15-3(3-phenyloxolane-2,5-dione)
- 2959-96-8(2-Phenylglutaric Anhydride(>80%))
- 101278-21-1(Dihydro-3,4-diphenyl-2,5-furandione)
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