Ketcher 08201513342D 1   1.00000     0.00000     0

  5  5  0     0  0            999 V2000
    9.5441   -9.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1752   -9.5335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8410   -8.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8387   -8.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3636  -10.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0     0  0
  5  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  3  4  1  0     0  0
M  END
> <ID>
CHEBI:87597

> <NAME>
1,3-dioxolane

> <DEFINITION>
A cyclic acetal that is pentane in which the carbon atoms at positions 1 and 3 are replaced by oxygen atoms respectively.

> <STAR>
3

> <SYNONYM>
Glycol methylene ether; Formal glycol; 1,3-dioxacyclopentane

> <IUPAC_NAME>
1,3-dioxolane

> <FORMULA>
C3H6O2

> <MASS>
74.07850

> <MONOISOTOPIC_MASS>
74.03678

> <CHARGE>
0

> <SMILES>
C1COCO1

> <INCHI>
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2

> <INCHIKEY>
WNXJIVFYUVYPPR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
646-06-0

> <REAXYS_REGISTRY_NUMBER>
102453

> <CHEMIDPLUS>
646-06-0

> <NIST_CHEMISTRY_WEBBOOK>
646-06-0

> <WIKIPEDIA_ACCESSION>
Dioxolane

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