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8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

CAS: 50548-43-1

Formula: C12H9NO

SMILES: NC1=CC=CC2=C1OC1=C2C=CC=C1

IUPAC: 8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

InChI: InChI=1S/C12H9NO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H,13H2

Composition: C (78.67%), H (4.95%), N (7.65%), O (8.73%)

Molar Mass: 183.21

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 183.068413914
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QKBTTXJHJNXCOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.93
Topological Polar Surface Area 39.16
Polarizability 23.51
Ring Count 3
Rotatable Bond Count 0

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