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2-[methoxy(4-phenoxyphenyl)methylidene]propanedinitrile

2-[methoxy(4-phenoxyphenyl)methylidene]propanedinitrile

CAS: 330792-69-3

Formula: C17H12N2O2

SMILES: COC(=C(C#N)C#N)C1=CC=C(OC2=CC=CC=C2)C=C1

IUPAC: 2-[methoxy(4-phenoxyphenyl)methylidene]propanedinitrile

InChI: InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3

Composition: C (73.90%), H (4.38%), N (10.14%), O (11.58%)

Molar Mass: 276.295

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.089877634
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IRVRZQLHMPWLLY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.98
Topological Polar Surface Area 66.04
Polarizability 29.98
Ring Count 2
Rotatable Bond Count 4

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