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7-nitro-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

7-nitro-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

CAS: 3027-38-1

Formula: C12H5NO5

SMILES: [O-][N+](=O)C1=CC2=CC=CC3=C2C(=C1)C(=O)OC3=O

IUPAC: 7-nitro-3-oxatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

InChI: InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H

Composition: C (59.27%), H (2.07%), N (5.76%), O (32.90%)

Molar Mass: 243.174

Atom Count: 23

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.016772265
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey FLFLZYYDLIKGJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.14
Topological Polar Surface Area 86.51
Polarizability 23.48
Ring Count 3
Rotatable Bond Count 1

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