Mrv0541 03101408482D          

  8  7  0  0  0  0            999 V2000
    7.6088   -1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8964   -0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1653   -1.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4826   -0.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -1.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390   -0.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3173   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
> <ID>
CHEBI:44836

> <NAME>
2-(2-methoxyethoxy)ethanol

> <DEFINITION>
A hydroxypolyether that is the monomethyl ether derivative of diethylene glycol.

> <STAR>
3

> <SYNONYM>
methylcarbitol; Methoxydiglycol; Diglycol monomethyl ether; Diethylene glycol monomethyl ether

> <IUPAC_NAME>
2-(2-methoxyethoxy)ethanol

> <FORMULA>
C5H12O3

> <MASS>
120.14700

> <MONOISOTOPIC_MASS>
120.07864

> <CHARGE>
0

> <SMILES>
COCCOCCO

> <INCHI>
InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3

> <INCHIKEY>
SBASXUCJHJRPEV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
111-77-3

> <REAXYS_REGISTRY_NUMBER>
1697812

> <CHEMIDPLUS>
111-77-3

> <NIST_CHEMISTRY_WEBBOOK>
111-77-3

> <PDBECHEM_ACCESSION>
PG0

> <WIKIPEDIA_ACCESSION>
2-(2-Methoxyethoxy)ethanol

> <PUBMED_CITATION>
12149723; 2322686; 3699329; 3732673

$$$$