2H-1-Benzopyran-2-one, 3,7-dimethoxy-
PubChem CID: 609836
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| Compound Synonyms | 3,7-Dimethoxycoumarin, 2H-1-Benzopyran-2-one, 3,7-dimethoxy-, Coumarin, 3,7-dimethoxy-, 29076-68-4, SCHEMBL15842248, DTXSID30346125, IAFJNCMUCQDWCR-UHFFFAOYSA-N, 3,7-Dimethoxy-2H-chromen-2-one #, Q63408789 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethoxychromen-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAFJNCMUCQDWCR-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2H-1-Benzopyran-2-one, 3,7-dimethoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 206.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8451547333333331 |
| Inchi | InChI=1S/C11H10O4/c1-13-8-4-3-7-5-10(14-2)11(12)15-9(7)6-8/h3-6H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C=C(C(=O)O2)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients