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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
31
Total Number of Articles : 18
|
| PubChem |
736186
|
| Molecular Formula |
C10H10O4 |
| SMILES |
COC1=C(C=C(C=C1)/C=C/C(=O)O)O |
| InChI |
InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| synonyms |
- Isoferulic acid
- 3-Hydroxy-4-methoxycinnamic acid
- 537-73-5
- 25522-33-2
- Hesperetic acid
- 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid
- trans-Isoferulic acid
- (E)-3-(3-hydroxy-4-methoxyphenyl)acrylic acid
- (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
- 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-
- Cinnamic acid, 3-hydroxy-4-methoxy-
- Isoferulate
- 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
- UNII-XSQ2K2G7MC
- XSQ2K2G7MC
- 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid
- (E)-3'-Hydroxy-4'-methoxycinnamic acid
- CHEBI:27794
- (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
- EINECS 208-676-0
- NSC 51987
- NSC-51987
- trans-3-Hydroxy-4-methoxycinnamic acid
- BRN 2212760
- 4-O-METHYLCAFFEIC ACID
- CHEMBL233295
- 4-10-00-01777 (Beilstein Handbook Reference)
- (E)-3-(3-hydroxy-4-methoxy-phenyl)-acrylic acid
- 3-Hydroxy-4-methoxycinnamic acid (isoferulic acid)
- (2E)-3-(3-HYDROXY-4-METHOXYPHENYL)ACRYLIC ACID
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| Properties |
| Property |
Value |
| MW |
194.18 g/mol |
| HBD |
2 |
| HBA |
4 |
| Rotatable Bond Count |
3 |
| Exact Mass |
194.05790880 g/mol |
| Monoisotopic Mass |
194.05790880 g/mol |
| Heavy Atom Count |
14 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
224 |
| xlogp |
1.5 |
| Topological Polar Surface Area |
66.8 |
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