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4-methoxy-3-[3-(morpholin-3-yl)propoxy]benzonitrile

4-methoxy-3-[3-(morpholin-3-yl)propoxy]benzonitrile

CAS: 675126-28-0

Formula: C15H20N2O3

SMILES: COC1=CC=C(C=C1OCCCC1COCCN1)C#N

IUPAC: 4-methoxy-3-[3-(morpholin-3-yl)propoxy]benzonitrile

InChI: InChI=1/C15H20N2O3/c1-18-14-5-4-12(10-16)9-15(14)20-7-2-3-13-11-19-8-6-17-13/h4-5,9,13,17H,2-3,6-8,11H2,1H3

Composition: C (65.20%), H (7.30%), N (10.14%), O (17.37%)

Molar Mass: 276.336

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 276.147392512
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VELKCPKWQGPZQT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.69
Topological Polar Surface Area 63.51
Polarizability 29.74
Ring Count 2
Rotatable Bond Count 6

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