Cas no 859979-73-0 (Ethyl 2-(4-methoxy-3-methylphenyl)-2-oxoacetate)
859979-73-0 structure
Product Name:Ethyl 2-(4-methoxy-3-methylphenyl)-2-oxoacetate
CAS No:859979-73-0
MF:C12H14O4
MW:222.237164020538
CID:1843188
PubChem ID:24722276
Update Time:2025-04-21
Ethyl 2-(4-methoxy-3-methylphenyl)-2-oxoacetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(4-methoxy-3-methylphenyl)-2-oxoacetate
- (4-methoxy-3-methyl-phenyl)-glyoxylic acid ethyl ester
- (4-Methoxy-3-methyl-phenyl)-glyoxylsaeure-aethylester
- CTK5F6169
- AG-H-46966
- Ethyl 4-Methoxy-3-MethylbenzoylforMate
- Ethyl (4-methoxy-3-methylphenyl)(oxo)acetate
- DTXSID00641295
- ethyl 4-methoxy-3-methylbenzoylformate, AldrichCPR
- DB-297528
- AKOS010879613
- 859979-73-0
- Ethyl 2-(4-methoxy-3-methylphenyl)-2-oxoacetate
-
- MDL： MFCD09801431
- Inchi： 1S/C12H14O4/c1-4-16-12(14)11(13)9-5-6-10(15-3)8(2)7-9/h5-7H,4H2,1-3H3
- InChI Key： RRLPISAPBOSKFR-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=C(C(C(=O)OCC)=O)C=C1C
Computed Properties
- Exact Mass: 222.08920892g/mol
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 262
- 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: 2.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.123
- Boiling Point: 341°C at 760 mmHg
- Flash Point: 150.1°C
- Refractive Index: 1.506
Ethyl 2-(4-methoxy-3-methylphenyl)-2-oxoacetate Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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