Marvin  12270700392D          

 11 11  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  4  5  2  0  0  0  0
  3  6  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
 10  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:35699

> <NAME>
cis-cinnamic acid

> <DEFINITION>
The Z (cis) isomer of cinnamic acid

> <STAR>
3

> <SYNONYM>
cis-Zimtsaeure; cis-cinnamic acid; cis-beta-carboxystyrene; (Z)-cinnamic acid; (Z)-3-phenyl-2-propenoic acid; (2Z)-3-phenylacrylic acid; (2Z)-3-phenyl-2-propenoic acid

> <IUPAC_NAME>
(2Z)-3-phenylprop-2-enoic acid

> <FORMULA>
C9H8O2

> <MASS>
148.15862

> <MONOISOTOPIC_MASS>
148.05243

> <CHARGE>
0

> <SMILES>
OC(=O)\C=C/c1ccccc1

> <INCHI>
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-

> <INCHIKEY>
WBYWAXJHAXSJNI-SREVYHEPSA-N

> <CAS_REGISTRY_NUMBER>
102-94-3

> <GMELIN_REGISTRY_NUMBER>
279588

> <REAXYS_REGISTRY_NUMBER>
2040579

> <NIST_CHEMISTRY_WEBBOOK>
102-94-3

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