p-Coumaric acid 4-hydroxyphenyl ester
PubChem CID: 129844436
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| Compound Synonyms | p-coumaric acid 4-hydroxyphenyl ester |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-hydroxyphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBTCONOQWCUFLS-XCVCLJGOSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.953 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.118 |
| Compound Name | p-Coumaric acid 4-hydroxyphenyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.553661821052631 |
| Inchi | InChI=1S/C15H12O4/c16-12-4-1-11(2-5-12)3-10-15(18)19-14-8-6-13(17)7-9-14/h1-10,16-17H/b10-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)OC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients