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1-hydroxy-4-nitroanthracene-9,10-dione

1-hydroxy-4-nitroanthracene-9,10-dione

CAS: 81-65-2

Formula: C14H7NO5

SMILES: OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(C=C1)[N+]([O-])=O

IUPAC: 1-hydroxy-4-nitro-9,10-dihydroanthracene-9,10-dione

InChI: InChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H

Composition: C (62.46%), H (2.62%), N (5.20%), O (29.71%)

Molar Mass: 269.212

Atom Count: 27

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.032422329
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey XXUOKOYLVBHBCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.45
Topological Polar Surface Area 97.51
Polarizability 25.83
Ring Count 3
Rotatable Bond Count 1

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