Molecule:100958: Difference between revisions
From ChemWiki
molecule
auto-generated |
auto-generated Tag: Reverted |
||
| Line 12: | Line 12: | ||
|moleculeKey=LRMDXTVKVHKWEK-UHFFFAOYSA-N | |moleculeKey=LRMDXTVKVHKWEK-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO-05222412162D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 18 20 0 0 0 | M V30 COUNTS 18 20 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 4. | M V30 1 C 4.13379 -3.74911 0.0 0 | ||
M V30 2 C 5. | M V30 2 C 5.86364 -3.74863 0.0 0 | ||
M V30 3 C 5. | M V30 3 C 5.00035 -3.24914 0.0 0 | ||
M V30 4 C 5. | M V30 4 C 5.86364 -4.74931 0.0 0 | ||
M V30 5 C 4. | M V30 5 C 4.13379 -4.7538 0.0 0 | ||
M V30 6 C 5. | M V30 6 C 5.00253 -5.24868 0.0 0 | ||
M V30 7 C 6. | M V30 7 C 6.73028 -5.24968 0.0 0 | ||
M V30 8 C 7. | M V30 8 C 7.59691 -4.74936 0.0 0 | ||
M V30 9 C 7. | M V30 9 C 7.59691 -3.74867 0.0 0 | ||
M V30 10 C 6. | M V30 10 C 6.73028 -3.24831 0.0 0 | ||
M V30 11 O 6. | M V30 11 O 6.73029 -2.24856 0.0 0 | ||
M V30 12 O 6. | M V30 12 O 6.73028 -6.24942 0.0 0 | ||
M V30 13 C 8. | M V30 13 C 8.46119 -3.25042 0.0 0 | ||
M V30 14 C 9. | M V30 14 C 9.32814 -3.75063 0.0 0 | ||
M V30 15 C 8. | M V30 15 C 8.46733 -5.25156 0.0 0 | ||
M V30 16 C 9. | M V30 16 C 9.33034 -4.74628 0.0 0 | ||
M V30 17 N 8. | M V30 17 N 8.46136 -2.25068 0.0 0 | ||
M V30 18 N 10. | M V30 18 N 10.1933 -3.24968 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 | M V30 1 1 3 1 | ||
M V30 2 | M V30 2 1 4 2 | ||
M V30 3 | M V30 3 2 1 5 | ||
M V30 4 | M V30 4 2 2 3 | ||
M V30 5 | M V30 5 1 5 6 | ||
M V30 6 | M V30 6 2 6 4 | ||
M V30 7 1 4 7 | M V30 7 1 4 7 | ||
M V30 8 1 7 8 | M V30 8 1 7 8 | ||
M V30 9 | M V30 9 1 8 9 | ||
M V30 10 1 9 10 | M V30 10 1 9 10 | ||
M V30 11 1 10 2 | M V30 11 1 10 2 | ||
M V30 12 2 10 11 | M V30 12 2 10 11 | ||
M V30 13 2 7 12 | M V30 13 2 7 12 | ||
M V30 14 | M V30 14 1 14 13 | ||
M V30 15 | M V30 15 2 8 15 | ||
M V30 16 | M V30 16 2 13 9 | ||
M V30 17 | M V30 17 1 15 16 | ||
M V30 18 | M V30 18 2 16 14 | ||
M V30 19 1 13 17 | M V30 19 1 13 17 | ||
M V30 20 1 14 18 | M V30 20 1 14 18 | ||
| Line 62: | Line 62: | ||
M END | M END | ||
|smiles= | |smiles=C1=CC=C2C(=O)C3=CC=C(N)C(N)=C3C(=O)C2=C1 | ||
|inchi | |inchi=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2 | ||
|inchikey=LRMDXTVKVHKWEK-UHFFFAOYSA-N | |inchikey=LRMDXTVKVHKWEK-UHFFFAOYSA-N | ||
|width=200 | |width=200 | ||
Revision as of 11:17, 22 May 2024
| Properties | |
|---|---|
| CID | 15652 |
| CAS | 1758-68-5 |
| IUPAC-Name | 1,2-bis(azanyl)anthracene-9,10-dione |
| Abbreviation | n/a |
| Trivialname | 1,2-Diaminoanthraquinone |
| Exact mass | 238.074227566 |
| Molecular formula | C14H10N2O2 |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 1,2-Diaminoanthraquinone, 1,2-diaminoanthracene-9,10-dione, 9,10-Anthracenedione, 1,2-diamino-, 1,2-Daa, ANTHRAQUINONE, 1,2-DIAMINO-, 1,2-diamino-10-anthracenedione, 1,2-Diamino-9,10-anthraquinone, 1,2-Diamino-9,10-anthracenedione, Diaminoanthraquinone, 1,2-Diamino-anthraquinone |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
Belongs to molecule collection: Molecule collection 100929
Molecule is used on following pages
publication
investigation
