3,5-Dimethyl-4-hydroxybenzonitrile

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Purity: 98%

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3,5-Dimethyl-4-hydroxybenzonitrile

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1. Introduction of3,5-Dimethyl-4-hydroxybenzonitrile

The 3,5-Dimethyl-4-hydroxybenzonitrile, with its CAS NO4198-90-7, is a kind ofwhite to

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1. Introduction of 3,5-Dimethyl-4-hydroxybenzonitrile

The 3,5-Dimethyl-4-hydroxybenzonitrile, with its CAS NO 4198-90-7, is a kind of white to beige crystalline powder. It has synonyms of 2,6-Dimethyl-4-cyanophenol;4-Cyano-2,6-dimethylphenol 4-Hydroxy-3,5-dimethylbenzonitrile.

2. Properties of 3,5-Dimethyl-4-hydroxybenzonitrile

(1) XLogP3 1.1 (2) H-Bond Don1 (3) H-Bond Accept2
(4) Tautomer Count 2 (5) Exact Mass 147.068414 (6) MonoIsotopic Mass 147.068414
(7) Topological Polar Surface Area 44 (8) Heavy Atom Count 11 (9) Complexity 169
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D AcceptCount 1 (12) Feature 3D DonCount 1
(13) Feature 3D Ring Count 1 (14) Conformer Sampling RMSD 0.4 (15) CID Conformer Count 1

3. Structure descriptors of 3,5-Dimethyl-4-hydroxybenzonitrile

IUPAC Name: 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

InChIKey: WFYGXOWFEIOHCZ-UHFFFAOYSA-N

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

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