3,4-dihydro-2H-1,5-benzodioxepin-7-amine

3,4-dihydro-2H-1,5-benzodioxepin-7-amine

CAS: 175136-34-2

Formula: C9H11NO2

SMILES: NC1=CC=C2OCCCOC2=C1

IUPAC: 3,4-dihydro-2H-1,5-benzodioxepin-7-amine

InChI: InChI=1S/C9H11NO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5,10H2

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FVLCICVRAPEYNX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.58
Topological Polar Surface Area	44.48
Polarizability	17.62
Ring Count	2
Rotatable Bond Count	0

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