4-(4-aminophenyl)oxane-4-carbonitrile

4-(4-aminophenyl)oxane-4-carbonitrile

CAS: 1462288-68-1

Formula: C12H14N2O

SMILES: NC1=CC=C(C=C1)C1(CCOCC1)C#N

IUPAC: 4-(4-aminophenyl)oxane-4-carbonitrile

InChI: InChI=1S/C12H14N2O/c13-9-12(5-7-15-8-6-12)10-1-3-11(14)4-2-10/h1-4H,5-8,14H2

Composition: C (71.26%), H (6.98%), N (13.85%), O (7.91%)

Molar Mass: 202.257

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.110613079
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WKWDRVCOTROABG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.67
Topological Polar Surface Area	59.04
Polarizability	22.32
Ring Count	2
Rotatable Bond Count	1

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