Cas no 394207-67-1 (Propanedioic acid, (4-ethylphenyl)-, dimethyl ester)
394207-67-1 structure
Product Name:Propanedioic acid, (4-ethylphenyl)-, dimethyl ester
CAS No:394207-67-1
MF:C13H16O4
MW:236.263744354248
CID:291886
PubChem ID:69558781
Update Time:2025-04-19
Propanedioic acid, (4-ethylphenyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (4-ethylphenyl)-, dimethyl ester
- dimethyl 2-(4-ethylphenyl)propanedioate
- DTXSID70740880
- Dimethyl (4-ethylphenyl)propanedioate
- 394207-67-1
- SCHEMBL5766030
-
- Inchi： 1S/C13H16O4/c1-4-9-5-7-10(8-6-9)11(12(14)16-2)13(15)17-3/h5-8,11H,4H2,1-3H3
- InChI Key： NVGAVISZGUHIMT-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(=O)OC)C1C=CC(=CC=1)CC)=O
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 251
- 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: 2.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (4-ethylphenyl)-, dimethyl ester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
394207-67-1 (Propanedioic acid, (4-ethylphenyl)-, dimethyl ester) Related Products
- 3469-00-9(Methyl 2,2-Diphenylacetate)
- 17838-69-6(Ethyl 3-oxo-2-Phenylpropanoate)
- 14510-36-2(Acetyltropic Acid)
- 5894-79-1(Benzeneacetic acid, alpha-formyl-, methyl ester)
- 83-13-6(Diethyl phenylmalonate)
- 31508-44-8(methyl 2-phenylpropanoate)
- 57625-74-8(Methyl Dimethylbenzeneacetate)
- 3967-53-1(methyl 3-hydroxy-2-phenylpropanoate)
- 17097-90-4(3-Ethoxy-3-oxo-2-phenylpropanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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