Bornane-2,3-dione
PubChem CID: 25208
Connections displayed (default: 10).
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| Compound Synonyms | Camphorquinone, 10373-78-1, DL-CAMPHORQUINONE, 2,3-Bornanedione, 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione, bornane-2,3-dione, Camphoroquinone, 465-29-2, Camphor quinone, Camphoquinone, (+/-)-Camphorquinone, Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S)-(+)-Camphorquinone, CHEBI:34607, (+)-Camphorquinone, DTXSID7049394, ( inverted exclamation markA)-Camphorquinone, 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione bornane-2,3-dione, Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-, CAMPHOREQUINONE, Bicyclo[2.2.1]heptane-2, 1,7,7-trimethyl-, 1,7,7-trimethylbicyclo(2.2.1)heptan-2,3-dione, 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTANE-2,3-DIONE, (1R)-(-)-2,3-Bornanedione, 1,7,7-trimethylbicyclo(2.2.1)heptane-2,3-dione bornane-2,3-dione, 3-Ketocamphor, dl-Camphoroquinone, 1,7,7-trimethylnorbornane-2,3-dione, (+/-) camphorquinone, (1R)-(-)-Camphorquinon, SCHEMBL15201, CHEMBL301431, NSC285, DTXCID4029353, (1S)-(+)-2,3-Bornanedione, Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S)-, Tox21_202961, BBL012870, NSC402031, STK803340, AKOS001042401, AKOS016037995, FC40615, LMPR0102120030, NCGC00260507-01, AS-15119, SY036381, CAS-10373-78-1, DB-047258, DB-058983, DB-059044, DB-286103, C1660, CS-0127185, NS00019583, NS00080204, EN300-17476, N11921, 1,7,7-trimethyl-bicyclo[2.2.1]heptane-2,3-dione, Q2698440, 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione #, Z56943556, 2,3-Bornanedione, 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, 207-363-6 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02769 |
| Iupac Name | 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNQXSTWCDUXYEZ-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.904 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.736 |
| Compound Name | Bornane-2,3-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8281640000000001 |
| Inchi | InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3 |
| Smiles | CC1(C2CCC1(C(=O)C2=O)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all