Ketcher 02161814402D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
   14.8808   -7.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8841   -6.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0183   -5.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1546   -6.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2888   -5.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2920   -4.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1610   -4.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0215   -4.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8905   -4.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7562   -4.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6199   -4.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6231   -3.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4857   -4.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  8  2  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 11 13  1  0     0  0
M  END
> <ID>
CHEBI:136676

> <NAME>
(E)-2-methoxycinnamic acid

> <DEFINITION>
A member of the class of cinnamic acids that is trans-cinnamic acid carrying a methoxy substituent at position 2 on the benzene ring.

> <STAR>
3

> <SYNONYM>
trans-2-methoxycinnamic acid; 2-methoxycinnamic acid; (E)-o-Methoxycinnamic acid; (E)-3-(2-methoxyphenyl)acrylic acid; (E)-3-(2-Methoxyphenyl)-2-propenoic acid

> <IUPAC_NAME>
(2E)-3-(2-methoxyphenyl)prop-2-enoic acid

> <FORMULA>
C10H10O3

> <MASS>
178.185

> <MONOISOTOPIC_MASS>
178.06299

> <CHARGE>
0

> <SMILES>
COC=1C=CC=CC1/C=C/C(=O)O

> <INCHI>
InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+

> <INCHIKEY>
FEGVSPGUHMGGBO-VOTSOKGWSA-N

> <CAS_REGISTRY_NUMBER>
1011-54-7

> <REAXYS_REGISTRY_NUMBER>
2209714

> <CHEMIDPLUS>
1011-54-7

> <NIST_CHEMISTRY_WEBBOOK>
1011-54-7

> <PUBMED_CITATION>
11600003; 11879010; 20572266; 28265631

$$$$