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4-formyl-3-methoxybenzonitrile

4-formyl-3-methoxybenzonitrile

CAS: 21962-45-8

Formula: C9H7NO2

SMILES: COC1=CC(=CC=C1C=O)C#N

IUPAC: 4-formyl-3-methoxybenzonitrile

InChI: InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3

Composition: C (67.08%), H (4.38%), N (8.69%), O (19.85%)

Molar Mass: 161.16

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 161.047678469
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZXENVSJZOHXCKL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.83
Topological Polar Surface Area 50.09
Polarizability 16.58
Ring Count 1
Rotatable Bond Count 2

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98% <7 Days 21962-45-8 $6.21-$273.24$6.21$11.39$36.23$56.93$112.82$273.24
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