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8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,10,12-pentaen-6-one

8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,10,12-pentaen-6-one

CAS: 39786-36-2

Formula: C10H6N2O2

SMILES: O=C1NC=NC2=C1OC1=C2C=CC=C1

IUPAC: 8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,10,12-pentaen-6-one

InChI: InChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13)

Composition: C (64.52%), H (3.25%), N (15.05%), O (17.19%)

Molar Mass: 186.17

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 186.042927441
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PCCWPSFTRGJXEF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.62
Topological Polar Surface Area 54.6
Polarizability 19.37
Ring Count 3
Rotatable Bond Count 0

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