Cas no 62565-07-5 (Propanedioic acid, (4-phenylbutyl)-, dimethyl ester)
62565-07-5 structure
Product Name:Propanedioic acid, (4-phenylbutyl)-, dimethyl ester
CAS No:62565-07-5
MF:C15H20O4
MW:264.316905021667
CID:440039
PubChem ID:11118942
Update Time:2025-04-19
Propanedioic acid, (4-phenylbutyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (4-phenylbutyl)-, dimethyl ester
- dimethyl 2-(4-phenylbutyl)propanedioate
- 62565-07-5
- DTXSID80455913
-
- Inchi： 1S/C15H20O4/c1-18-14(16)13(15(17)19-2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3
- InChI Key： KUEQZGCNFLJSPC-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(=O)OC)CCCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 264.1362
- Monoisotopic Mass: 264.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 266
- 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: 3.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (4-phenylbutyl)-, dimethyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
62565-07-5 (Propanedioic acid, (4-phenylbutyl)-, dimethyl ester) Related Products
- 607-81-8(Diethyl benzylmalonate)
- 65749-05-5(Dimethyl 2-benzylmalonate)
- 116754-85-9(Benzenepentadecanoicacid, b-methyl-, methyl ester)
- 2985-39-9(Propanedioic acid,2-(phenylmethyl)-, 1-ethyl ester)
- 10386-81-9(Cyclopentanecarboxylicacid, 2-oxo-1-(phenylmethyl)-, methyl ester)
- 620-79-1(Ethyl 2-benzylacetoacetate)
- 2983-36-0(Benzenepropanoic acid, a-ethyl-, ethyl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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