p-Coumaroyl glycolic acid
PubChem CID: 129720117
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| Compound Synonyms | p-coumaroyl glycolic acid, p-Coumaroyl glycolate, DTXSID801341831, (E)-2-hydroxy-5-(4-hydroxyphenyl)-3-oxopent-4-enoic acid |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-hydroxy-5-(4-hydroxyphenyl)-3-oxopent-4-enoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Is Pains | False |
| Molecular Formula | C11H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICGTVTIBYULVLN-ZZXKWVIFSA-N |
| Fcsp3 | 0.0909090909090909 |
| Rotatable Bond Count | 4.0 |
| Compound Name | p-Coumaroyl glycolic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.053 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 222.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 222.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7477151999999996 |
| Inchi | InChI=1S/C11H10O5/c12-8-4-1-7(2-5-8)3-6-9(13)10(14)11(15)16/h1-6,10,12,14H,(H,15,16)/b6-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)C(C(=O)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Source_db:cmaup_ingredients