CAS
12217-95-7 Purity
96%
12217-95-7 Purity
96%
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Specification
PubChem CID: 83683
Molecular Formula: C20H14N2O5
Molecular Weight: 362.3 g/mol
IUPAC Name: 1,5-diamino-4,8-dihydroxy-2-(4-hydroxyphenyl)anthracene-9,10-dione
InChI: InChI=1S/C20H14N2O5/c21-11-5-6-12(24)15-14(11)19(26)16-13(25)7-10(18(22)17(16)20(15)27)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2
InChIKey: OXLITIGRBOEDEZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O)O
CAS number: 13716-91-1
XLogP3-AA: 3.2
Hydrogen Bond Donor Count: 5