6210220
  CDK     0910211424

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.3173    0.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9847    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -0.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3278   -0.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7255   -0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  6  2  0  0  0  0 
  4  5  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
M  END
> <ID>
CHEBI:178974

> <NAME>
alpha-Methyl-2-furanacrolein

> <STAR>
2

> <IUPAC_NAME>
(E)-3-(uran-2-yl)-2-methylprop-2-enal

> <FORMULA>
C8H8O2

> <MASS>
136.150

> <MONOISOTOPIC_MASS>
136.05243

> <CHARGE>
0

> <SMILES>
O1C(/C=C(\C)/C=O)=CC=C1

> <INCHI>
InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+

> <INCHIKEY>
ZNBXZUKDRRRQJK-FNORWQNLSA-N

> <CAS_REGISTRY_NUMBER>
874-66-8

> <CHEMIDPLUS>
874-66-8

$$$$