Marvin  09220616462D          

 11 12  0  0  0  0            999 V2000
   -0.0574    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822    1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822   -1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
M  END
> <ID>
CHEBI:36605

> <NAME>
phthalic anhydride

> <DEFINITION>
The cyclic dicarboxylic anhydride that is the anhydride of phthalic acid.

> <STAR>
3

> <SYNONYM>
Phthalsaeureanhydrid; phthalic anhydride; ortho-phthalic acid anhydride; o-phthalic acid anhydride; 1,3-phthalandione; 1,3-isobenzofurandione; 1,3-dioxophthalan; 1,2-benzenedicarboxylic acid anhydride

> <IUPAC_NAME>
2-benzofuran-1,3-dione

> <FORMULA>
C8H4O3

> <MASS>
148.11556

> <MONOISOTOPIC_MASS>
148.01604

> <CHARGE>
0

> <SMILES>
O=C1OC(=O)c2ccccc12

> <INCHI>
InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H

> <INCHIKEY>
LGRFSURHDFAFJT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
118515

> <CAS_REGISTRY_NUMBER>
85-44-9

> <GMELIN_REGISTRY_NUMBER>
27200

> <REAXYS_REGISTRY_NUMBER>
118515

> <CHEMIDPLUS>
85-44-9

> <NIST_CHEMISTRY_WEBBOOK>
85-44-9

> <WIKIPEDIA_ACCESSION>
Phthalic_anhydride

> <PUBMED_CITATION>
12269934; 1447476; 21901887; 21902644; 22222149; 22883110; 22887795; 23549605; 23680900

$$$$