4-hydroxy-2-methoxy-6-methylbenzonitrile

CAT: 0127-OR1083106-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083106-01Size:250 mg

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CAS Number

1374575-05-9

MDL Number

MFCD26402181

Purity

95%

Smiles

C1 (cc (c (c (c1) C) C#N) OC) O

Chemical Information

4-Hydroxy-2-methoxy-6-methylbenzonitrile

CAS Number	1374575-05-9
PubChem CID	77230647
IUPAC Name	4-hydroxy-2-methoxy-6-methylbenzonitrile
Molecular Formula	C9H9NO2
Molecular Weight	163.17
XLogP	1.6
Topological Polar Surface Area	53.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	196

SMILES

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

InChI

InChI=1S/C9H9NO2/c1-6-3-7(11)4-9(12-2)8(6)5-10/h3-4,11H,1-2H3

InChIKey

QFHZPADMMRXYTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1374575-05-9

CID: 77230647

Formula: C9H9NO2

MW: 163.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.17
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	163.063328530
Monoisotopic Mass	163.063328530
Topological Polar Surface Area	53.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	196
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
OR906288-01	2-Methoxy-6-methylbenzonitrile
OR73646-01	4-Bromo-2-methoxy-6-methylbenzonitrile
OR1056447-01	2-Amino-6-methoxy-4-methylbenzonitrile
OR1088516-01	4-iodo-2-methoxy-6-methylbenzonitrile
OR400229-01	2-Methoxy-4-methylbenzonitrile
OR43646-01	4-Methoxy-2-methylbenzonitrile
OR53049-01	4-Hydroxy-3-methoxy-5-methylbenzonitrile
OR903861-01	2-Hydroxy-4-methylbenzonitrile
OR908077	4-hydroxy-2-methylbenzonitrile
OR303148-01	6-Bromo-3-methoxy-2-methylbenzonitrile

Catalog	Name
FWC74322-01	4-Hydroxy-5-methoxy-2-methylbenzonitrile
418611-01	2-Methoxy-6-methylbenzonitrile
CKB14905-01	4-Bromo-2-methoxy-6-methylbenzonitrile
418578-01	2-Methoxy-4-methylbenzonitrile
sc-280440A	4-Methoxy-2-methylbenzonitrile
PAA14326	4-hydroxy-2-methylbenzonitrile
426256-01	3-Methoxy-4-methylbenzonitrile
DCA07871-01	4-Methoxy-3-methylbenzonitrile
432648-01	4-Hydroxy-3-methylbenzonitrile
425973-01	3-Hydroxy-4-methylbenzonitrile