8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-4-amine

8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-4-amine

CAS: 38084-44-5

Formula: C12H13NO

SMILES: NC1=CC=C2OC3=C(CCCC3)C2=C1

IUPAC: 8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-4-amine

InChI: InChI=1S/C12H13NO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7H,1-4,13H2

Composition: C (76.98%), H (7.00%), N (7.48%), O (8.54%)

Molar Mass: 187.242

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	187.099714043
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	HCNLIGSQZDOOGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.11
Topological Polar Surface Area	39.16
Polarizability	22.35
Ring Count	3
Rotatable Bond Count	0

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