3,3'-Methylenebis(4,6-dihydroxycoumarin)
PubChem CID: 129881889
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| Compound Synonyms | 3,3'-methylenebis(4,6-dihydroxycoumarin) |
|---|---|
| Topological Polar Surface Area | 134.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 663.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(4,6-dihydroxy-2-oxochromen-3-yl)methyl]-4,6-dihydroxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C19H12O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICPVYNIQTIUBID-UHFFFAOYSA-N |
| Fcsp3 | 0.0526315789473684 |
| Logs | -3.734 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.702 |
| Compound Name | 3,3'-Methylenebis(4,6-dihydroxycoumarin) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.053 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 368.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1380895481481486 |
| Inchi | InChI=1S/C19H12O8/c20-8-1-3-14-10(5-8)16(22)12(18(24)26-14)7-13-17(23)11-6-9(21)2-4-15(11)27-19(13)25/h1-6,20-23H,7H2 |
| Smiles | C1=CC2=C(C=C1O)C(=C(C(=O)O2)CC3=C(C4=C(C=CC(=C4)O)OC3=O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Primula Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Radermachera Xylocarpa (Plant) Rel Props:Source_db:cmaup_ingredients