Cas no 55114-30-2 (Propanedioic acid, methyl(phenylmethyl)-, diethyl ester)
55114-30-2 structure
Product Name:Propanedioic acid, methyl(phenylmethyl)-, diethyl ester
CAS No:55114-30-2
MF:C15H20O4
MW:264.316905021667
CID:352807
PubChem ID:3329123
Update Time:2025-04-19
Propanedioic acid, methyl(phenylmethyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, methyl(phenylmethyl)-, diethyl ester
- diethyl 2-benzyl-2-methylpropanedioate
- XVKFESUTLASBKM-UHFFFAOYSA-N
- DTXSID20391508
- AKOS024322904
- Diethyl 2-benzyl-2-methylmalonate
- SCHEMBL8710582
- 55114-30-2
- 2-BENZYL-2-METHYL-MALONIC ACID DIETHYL ESTER
-
- Inchi： 1S/C15H20O4/c1-4-18-13(16)15(3,14(17)19-5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
- InChI Key： XVKFESUTLASBKM-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C)CC1C=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: 8
- Complexity: 287
- 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: 3.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, methyl(phenylmethyl)-, diethyl ester Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
55114-30-2 (Propanedioic acid, methyl(phenylmethyl)-, diethyl ester) Related Products
- 607-81-8(Diethyl benzylmalonate)
- 65749-05-5(Dimethyl 2-benzylmalonate)
- 49769-78-0(Dimethyl Benzylmalonate)
- 76-67-5(Diethyl ethylphenylmalonate)
- 2985-39-9(Propanedioic acid,2-(phenylmethyl)-, 1-ethyl 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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