4-Hydroxy-3-methoxybenzonitrile

CAT: 0127-OR914196-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR914196-01Size:25 g

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CAS Number

4421-08-3

MDL Number

MFCD00001820

Purity

98%

Smiles

COc1cc(ccc1O)C#N

Chemical Information

4-Hydroxy-3-methoxybenzonitrile

CAS Number	4421-08-3
PubChem CID	78135
IUPAC Name	4-hydroxy-3-methoxybenzonitrile
Molecular Formula	C8H7NO2
Molecular Weight	149.15
XLogP	0.5
Topological Polar Surface Area	53.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	172

SMILES

COC1=C(C=CC(=C1)C#N)O

InChI

InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3

InChIKey

QJRWLNLUIAJTAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4421-08-3

CID: 78135

Formula: C8H7NO2

MW: 149.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.15
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	149.047678466
Monoisotopic Mass	149.047678466
Topological Polar Surface Area	53.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	172
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
OR907186-01	2-Hydroxy-4-methoxybenzonitrile
OR451461	3-Chloro-4-hydroxy-5-methoxybenzonitrile
OR451459	4-Hydroxy-3-iodo-5-methoxybenzonitrile
OR55611	4-Hydroxy-2-methoxybenzonitrile
OR345104-01	3-Bromo-4-hydroxy-5-methoxybenzonitrile
OR1037509-01	3-Hydroxy-2-methoxybenzonitrile
OR12467-01	2-Hydroxy-3-methoxybenzonitrile
PC105688	2-Fluoro-4-hydroxy-6-methoxybenzonitrile
OR85104-01	3-Acetyl-4-methoxybenzonitrile
OR25702-01	3- (Cyclopentyloxy) -4-methoxybenzonitrile

Catalog	Name
432638-01	4-Hydroxy-3-methoxybenzonitrile
AR-G01171-01	(3-Hydroxy-4-methoxybenzonitrile)
sc-352341A	3-Hydroxy-4-methoxybenzonitrile
JDA22429-01	4-Hydroxy-2-methoxybenzonitrile
418247-01	2-Hydroxy-4-methoxybenzonitrile
233208-01	4-Hydroxy-3-methoxybenzonitrile 99+% (GC)
FAA48588	3-Chloro-4-hydroxy-5-methoxybenzonitrile
266419-01	3-Bromo-4-hydroxy-5-methoxybenzonitrile
RID75927-01	3-Chloro-2-hydroxy-4-methoxybenzonitrile
JIB90745-01	4-Hydroxy-3-iodo-5-methoxybenzonitrile