4-hydroxy-3,5-dimethylbenzonitrile

4-hydroxy-3,5-dimethylbenzonitrile

CAS: 4198-90-7

Formula: C9H9NO

SMILES: CC1=CC(=CC(C)=C1O)C#N

IUPAC: 4-hydroxy-3,5-dimethylbenzonitrile

InChI: InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3

Composition: C (73.45%), H (6.16%), N (9.52%), O (10.87%)

Molar Mass: 147.177

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	147.068413914
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WFYGXOWFEIOHCZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.84
Topological Polar Surface Area	44.02
Polarizability	16.29
Ring Count	1
Rotatable Bond Count	0

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Off-white powder

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