Marvin  08140817392D          

 13 12  0  0  0  0            999 V2000
    3.7457    3.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1734    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5411    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2556    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0312    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0312    0.9563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  2  1  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
 12  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  4  0  0  0
M  END
> <ID>
CHEBI:50465

> <NAME>
2-decenoic acid

> <DEFINITION>
A decenoic acid having its double bond in position 2.

> <STAR>
3

> <SYNONYM>
dec-2-enoic acids; Dec-2-en-saeure; C10:1; 2-Decensaeure; 2-decenoic acids; 10:1; 1-nonenylcarboxylic acid

> <IUPAC_NAME>
dec-2-enoic acid

> <FORMULA>
C10H18O2

> <MASS>
170.24872

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

> <SMILES>
[H]C(=CCCCCCCC)C(O)=O

> <INCHI>
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)

> <INCHIKEY>
WXBXVVIUZANZAU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3913-85-7

> <REAXYS_REGISTRY_NUMBER>
1754370

> <CHEMIDPLUS>
3913-85-7

$$$$