Compound C27H18N2O6

[4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] benzoate

CAS: 4104-49-8

Molecular Formula	`C27H18N2O6`
Molecular Weight	466.4 g/mol
LogP	4.9
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	466.1165
Heavy Atoms	35
Complexity	820.0

Chemical Identifiers

CAS Number	4104-49-8
SMILES	`C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC(=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)N)N`
InChIKey	`UTKGUAAJNFVYMR-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H18N2O6 (CAS: 4104-49-8) is a chemical compound with molecular formula C27H18N2O6 and molecular weight 466.4 g/mol. Its IUPAC systematic name is [4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] benzoate. LogP 4.9 Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 466.1165 Heavy Atoms 35 Complexity 820.0 InChI Key: UTKGUAAJNFVYMR-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC(=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)N)N.

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