2,5-Dihydroxycinnamic acid
PubChem CID: 6442618
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| Compound Synonyms | 2,5-Dihydroxycinnamic acid, 636-01-1, (E)-3-(2,5-Dihydroxyphenyl)acrylic acid, 38489-67-7, (2E)-3-(2,5-Dihydroxyphenyl)acrylic acid, 3-(2,5-dihydroxyphenyl)acrylic acid, (E)-3-(2,5-dihydroxyphenyl)prop-2-enoic Acid, 3-(2,5-dihydroxyphenyl)prop-2-enoic acid, 6EHK92QE99, CHEMBL450484, 2,5-dihydroxystyrylcarbamic acid, grevillic acid, MFCD00075834, 2,5-Dihydroxyzimtsaure, UNII-6EHK92QE99, (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid, SCHEMBL344638, 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, (2E)-, (e)-2,5-dihydroxycinnamic acid, trans-2,5-Dihydroxycinnamic acid, DTXSID001030505, 3-(2,5-dihydroxyphenyl)acrylicacid, BDBM50025476, AKOS006345761, FD64911, CINNAMIC ACID, 2,5-DIHYDROXY-, TS-00197, CS-0266321, A11070, EN300-1849168, (2E)-3-(2,5-Dihydroxyphenyl)-2-propenoic acid, 3-(2,5-DIHYDROXYPHENYL)-2-PROPENOIC ACID, AR-683/43306427 |
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| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00533 |
| Iupac Name | (E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXIPYOZBOMUUCA-DAFODLJHSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.142 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.845 |
| Compound Name | 2,5-Dihydroxycinnamic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8973242615384613 |
| Inchi | InChI=1S/C9H8O4/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-1+ |
| Smiles | C1=CC(=C(C=C1O)/C=C/C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all