Molecule:100931: Difference between revisions
From ChemWiki
molecule
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|moleculeKey=AQXYVFBSOOBBQV-UHFFFAOYSA-N | |moleculeKey=AQXYVFBSOOBBQV-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO-05222412132D | |||
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 4.13378 -3.7491 0.0 0 | ||
M V30 2 C 5. | M V30 2 C 5.86363 -3.74862 0.0 0 | ||
M V30 3 C 5. | M V30 3 C 5.00034 -3.24913 0.0 0 | ||
M V30 4 C 5. | M V30 4 C 5.86363 -4.7493 0.0 0 | ||
M V30 5 C 4. | M V30 5 C 4.13378 -4.75379 0.0 0 | ||
M V30 6 C 5. | M V30 6 C 5.00252 -5.24867 0.0 0 | ||
M V30 7 C 6. | M V30 7 C 6.73027 -5.24967 0.0 0 | ||
M V30 8 C 7. | M V30 8 C 7.59689 -4.74935 0.0 0 | ||
M V30 9 C 7. | M V30 9 C 7.59689 -3.74866 0.0 0 | ||
M V30 10 C 6. | M V30 10 C 6.73027 -3.2483 0.0 0 | ||
M V30 11 O 6. | M V30 11 O 6.73028 -2.24856 0.0 0 | ||
M V30 12 O 6. | M V30 12 O 6.73027 -6.24941 0.0 0 | ||
M V30 13 C 8. | M V30 13 C 8.46117 -3.25042 0.0 0 | ||
M V30 14 C 9. | M V30 14 C 9.32812 -3.75062 0.0 0 | ||
M V30 15 C 8. | M V30 15 C 8.46732 -5.25155 0.0 0 | ||
M V30 16 C 9. | M V30 16 C 9.33032 -4.74627 0.0 0 | ||
M V30 17 N 8. | M V30 17 N 8.46134 -2.25068 0.0 0 | ||
M V30 18 O 8. | M V30 18 O 8.47051 -6.25129 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 15 18 | M V30 20 1 15 18 | ||
| Line 62: | Line 62: | ||
M END | M END | ||
|smiles= | |smiles=C1=CC=C2C(=O)C3=C(O)C=CC(N)=C3C(=O)C2=C1 | ||
|inchi | |inchi=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2 | ||
|inchikey=AQXYVFBSOOBBQV-UHFFFAOYSA-N | |inchikey=AQXYVFBSOOBBQV-UHFFFAOYSA-N | ||
|width=200 | |width=200 | ||
Revision as of 11:14, 22 May 2024
| Properties | |
|---|---|
| CID | 8323 |
| CAS | 116-85-8 |
| IUPAC-Name | 1-azanyl-4-oxidanyl-anthracene-9,10-dione |
| Abbreviation | n/a |
| Trivialname | 1-AMINO-4-HYDROXYANTHRAQUINONE |
| Exact mass | 239.058243149 |
| Molecular formula | C14H9NO3 |
| LogP | 3.4 |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 1-AMINO-4-HYDROXYANTHRAQUINONE, Disperse Red 15, C.I. Disperse Red 15, Calcosyn Pink B, 1-amino-4-hydroxyanthracene-9,10-dione, Celutate Pink BN, Celutate Pink B, Nacelan Pink B, Amacel Pink B, Celutate Pink BY |
1-amino-4-hydroxyanthraquinone
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Belongs to molecule collection: Molecule collection 100929
The molecule template was defined here: Photocatalytic CO2 reduction with aminoanthraquinone organic dyes
Molecule is used on following pages
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