4-Hydroxy-2,6-dimethylbenzonitrile

CAT: 0024-sc-277422Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-277422Size:200 mg

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CAS Number

58537-99-8

Chemical Information

4-Hydroxy-2,6-dimethylbenzonitrile

CAS Number	58537-99-8
PubChem CID	590183
IUPAC Name	4-hydroxy-2,6-dimethylbenzonitrile
Molecular Formula	C9H9NO
Molecular Weight	147.17
XLogP	1.1
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	169

SMILES

CC1=CC(=CC(=C1C#N)C)O

InChI

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

InChIKey

KZEJTKHRBQWACL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58537-99-8

CID: 590183

Formula: C9H9NO

MW: 147.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.17
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	147.068413911
Monoisotopic Mass	147.068413911
Topological Polar Surface Area	44 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-349216	4-bromo-2,6-dimethylbenzonitrile
sc-349216A	4-bromo-2,6-dimethylbenzonitrile
sc-280310A	2,6-Dimethylbenzonitrile
sc-280310	2,6-Dimethylbenzonitrile
sc-283412	2,4-Dimethylbenzonitrile
sc-283412A	2,4-Dimethylbenzonitrile
sc-276485	3,4-Dimethylbenzonitrile
sc-283442A	2,5-Dimethylbenzonitrile
sc-283442	2,5-Dimethylbenzonitrile
sc-281299	2,3-Dimethylbenzonitrile

Catalog	Name
432617-01	4-Hydroxy-2,6-dimethylbenzonitrile
OR1046162-01	2-Hydroxy-4,6-dimethylbenzonitrile
OR944047-01	4-Hydroxy-2,3-dimethylbenzonitrile
OR96395-01	4-Hydroxy-2,5-dimethylbenzonitrile
OR1042374-01	4-Methoxy-2,6-dimethylbenzonitrile
OR1101025-01	4-Acetyl-2,6-dimethylbenzonitrile
OR95064-01	2-Amino-4,6-dimethylbenzonitrile
OR92079-01	4-Amino-2,6-dimethylbenzonitrile
420927-01	2,6-Dimethylbenzonitrile
OR1081635-01	4-Formyl-2,6-dimethylbenzonitrile