Cas no 88254-01-7 (Propanedioic acid, methylphenyl-, monoethyl ester, (S)-)
88254-01-7 structure
Product Name:Propanedioic acid, methylphenyl-, monoethyl ester, (S)-
CAS No:88254-01-7
MF:C12H13O4
MW:221.229223966599
CID:639728
PubChem ID:71409687
Update Time:2025-04-19
Propanedioic acid, methylphenyl-, monoethyl ester, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, methylphenyl-, monoethyl ester, (S)-
- (2S)-3-ethoxy-2-methyl-3-oxo-2-phenylpropanoate
- 88254-01-7
- DTXSID60829411
-
- Inchi： 1S/C12H14O4/c1-3-16-11(15)12(2,10(13)14)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)/p-1/t12-/m0/s1
- InChI Key： RDKPEKUJILTPNU-LBPRGKRZSA-M
- SMILES： O(CC)C([C@@](C(=O)[O-])(C)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 221.08100
- Monoisotopic Mass: 221.08138389g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43000
- LogP: 0.25730
Propanedioic acid, methylphenyl-, monoethyl ester, (S)- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
88254-01-7 (Propanedioic acid, methylphenyl-, monoethyl ester, (S)-) Related Products
- 2901-13-5(Ethyl Dimethylphenylacetate)
- 17838-69-6(Ethyl 3-oxo-2-Phenylpropanoate)
- 111170-56-0(Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-)
- 14510-36-2(Acetyltropic Acid)
- 3468-99-3(Ethyl diphenylacetate)
- 2510-99-8(2-Phenylpropionic Acid Ethyl Ester)
- 83-13-6(Diethyl phenylmalonate)
- 57625-74-8(Methyl Dimethylbenzeneacetate)
- 3967-53-1(methyl 3-hydroxy-2-phenylpropanoate)
- 17097-90-4(3-Ethoxy-3-oxo-2-phenylpropanoic acid)
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