Name: Name:Propanoic acid,2-methyl-, 2-hydroxyethyl ester
Brand: AABLOCKS
SKU: AA006DWC
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA006DWC

Chemical Name: Propanoic acid,2-methyl-, 2-hydroxyethyl ester

CAS Number: 6942-58-1

Molecular Formula: C6H12O3

Molecular Weight: 132.1577

MDL Number: MFCD22199831

SMILES: OCCOC(=O)C(C)C

NSC Number: 57270

Properties

Form: Liquid

Complexity: 88.3

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 9

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.5

Downstream Synthesis Route

187737-37-7

201230-82-2

107-21-1

4219-46-9

6942-58-1

[1]Fergusson,StuartB.;Alper,Howard[JournaloftheChemicalSociety.Chemicalcommunications,1984,#20,p.1349-1351]

868-77-9

6942-58-1

[1]Imada,Yasushi;Iida,Hiroki;Naota,Takeshi[JournaloftheAmericanChemicalSociety,2005,vol.127,#42,p.14544-14545]

[2]Imada,Yasushi;Iida,Hiroki;Kitagawa,Takahiro;Naota,Takeshi[Chemistry-AEuropeanJournal,2011,vol.17,#21,p.5908-5920]

[3]Marsh,BarrieJ.;Carbery,DavidR.[JournalofOrganicChemistry,2009,vol.74,#8,p.3186-3188]

[4]Imada,Yasushi;Osaki,Motonari;Noguchi,Mikiko;Maeda,Takatoshi;Fujiki,Misa;Kawamorita,Soichiro;Komiya,Naruyoshi;Naota,Takeshi[ChemCatChem,2015,vol.7,#1,p.99-106]

6942-58-1 | Propanoic acid,2-methyl-, 2-hydroxyethyl ester