4-hydroxy-3,5-dimethoxybenzonitrile

4-hydroxy-3,5-dimethoxybenzonitrile

CAS: 72684-95-8

Formula: C9H9NO3

SMILES: COC1=CC(=CC(OC)=C1O)C#N

IUPAC: 4-hydroxy-3,5-dimethoxybenzonitrile

InChI: InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.058243154
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JKPLQGXXESDJLY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.69
Topological Polar Surface Area	62.48
Polarizability	17.83
Ring Count	1
Rotatable Bond Count	2

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Life Chemicals USA, Inc.

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95%	<7 Days	72684-95-8		$89.10-$811.80$89.10$128.70$188.10$376.20$564.30$811.80

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Key Organics Ltd

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Struchem co.,ltd

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95%	<5 Days	72684-95-8		$8,400.00$8,400.00