4- (Benzyloxy) -2-hydroxybenzonitrile

CAT: 0127-OR92210-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR92210-01Size:250 mg

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CAS Number

189439-24-5

MDL Number

MFCD20534926

Purity

98%

Smiles

N#CC1=CC=C(OCC2=CC=CC=C2)C=C1O

Chemical Information

4-(Benzyloxy)-2-hydroxybenzonitrile

CAS Number	189439-24-5
PubChem CID	15453234
IUPAC Name	2-hydroxy-4-phenylmethoxybenzonitrile
Molecular Formula	C14H11NO2
Molecular Weight	225.24
XLogP	3.3
Topological Polar Surface Area	53.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	277

SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)C#N)O

InChI

InChI=1S/C14H11NO2/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-8,16H,10H2

InChIKey

SZVJDJBGNPQFKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 189439-24-5

CID: 15453234

Formula: C14H11NO2

MW: 225.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.24
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	225.078978594
Monoisotopic Mass	225.078978594
Topological Polar Surface Area	53.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
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
OR82213-01	4-Amino-2-hydroxybenzonitrile
OR16169-01	2-Chloro-4-hydroxybenzonitrile
OR908076-01	2-Bromo-4-hydroxybenzonitrile
OR10907-01	4-Hydroxybenzonitrile
OR46050-01	4-Chloro-2-hydroxybenzonitrile
OR8226-01	4-Bromo-2-hydroxybenzonitrile
PC51150-01	4-Fluoro-2-hydroxybenzonitrile
OR1077222-01	2-Amino-4-hydroxybenzonitrile
PC0409-01	2-Fluoro-4-hydroxybenzonitrile
OR10908-01	2-Hydroxybenzonitrile

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