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| {{Molecule | | {{Molecule |
| |cid=8323 | | |trivialname=1-amino-4-hydroxyanthraquinone |
| |iupacName=1-azanyl-4-oxidanyl-anthracene-9,10-dione
| |
| |molecularMass=239.058243149
| |
| |molecularFormula=C<sub>14</sub>H<sub>9</sub>NO<sub>3</sub>
| |
| |logP=3.4
| |
| |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
| |
| |cas=116-85-8
| |
| |hasVendors=true
| |
| |trivialname=1-AMINO-4-HYDROXYANTHRAQUINONE
| |
| |abbrev=
| |
| |moleculeKey=AQXYVFBSOOBBQV-UHFFFAOYSA-N
| |
| |molOrRxn=
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| RDKit 2D
| |
| | |
| 0 0 0 0 0 0 0 0 0 0999 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 18 20 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 4.13485 -3.75007 0 0
| |
| M V30 2 C 5.86515 -3.74959 0 0
| |
| M V30 3 C 5.00164 -3.24997 0 0
| |
| M V30 4 C 5.86515 -4.75053 0 0
| |
| M V30 5 C 4.13485 -4.75502 0 0
| |
| M V30 6 C 5.00382 -5.25003 0 0
| |
| M V30 7 C 6.73201 -5.25103 0 0
| |
| M V30 8 C 7.59886 -4.75058 0 0
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| M V30 9 C 7.59886 -3.74963 0 0
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| M V30 10 C 6.73201 -3.24914 0 0
| |
| M V30 11 O 6.73202 -2.24914 0 0
| |
| M V30 12 O 6.73201 -6.25103 0 0
| |
| M V30 13 C 8.46336 -3.25126 0 0
| |
| M V30 14 C 9.33054 -3.75159 0 0
| |
| M V30 15 C 8.46951 -5.25291 0 0
| |
| M V30 16 C 9.33274 -4.7475 0 0
| |
| M V30 17 N 8.46353 -2.25126 0 0
| |
| M V30 18 O 8.4727 -6.25291 0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 4 3 1
| |
| M V30 2 4 4 2
| |
| M V30 3 4 1 5
| |
| M V30 4 4 2 3
| |
| M V30 5 4 5 6
| |
| M V30 6 4 6 4
| |
| M V30 7 1 4 7
| |
| M V30 8 1 7 8
| |
| M V30 9 4 8 9
| |
| M V30 10 1 9 10
| |
| M V30 11 1 10 2
| |
| M V30 12 2 10 11
| |
| M V30 13 2 7 12
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| M V30 14 4 14 13
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| M V30 15 4 8 15
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| M V30 16 4 13 9
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| M V30 17 4 15 16
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| M V30 18 4 16 14
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| M V30 19 1 13 17
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| M V30 20 1 15 18
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| M V30 END BOND
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| M V30 END CTAB
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| M END
| |
| | |
| |smiles=Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
| |
| |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
| |
| |width=200
| |
| |height=200
| |
| |float=none
| |
| |parent=Molecule:100929
| |
| }} | | }} |
molecule
