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7-methoxy-2H-chromene-3-carbonitrile

7-methoxy-2H-chromene-3-carbonitrile

CAS: 57543-70-1

Formula: C11H9NO2

SMILES: COC1=CC=C2C=C(COC2=C1)C#N

IUPAC: 7-methoxy-2H-chromene-3-carbonitrile

InChI: InChI=1S/C11H9NO2/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10/h2-5H,7H2,1H3

Composition: C (70.58%), H (4.85%), N (7.48%), O (17.09%)

Molar Mass: 187.198

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.063328534
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VSQUWMPCKWVPTQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.84
Topological Polar Surface Area 42.25
Polarizability 19.75
Ring Count 2
Rotatable Bond Count 1

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