3- (hydroxy (phenyl) methyl) benzonitrile

CAT: 0127-OR1082579-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082579-01Size:250 mg

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CAS Number

13428-06-3

MDL Number

MFCD24217343

Purity

95%

Smiles

C1c (cc (cc1) C (c1ccccc1) O) C#N

Chemical Information

3-[Hydroxy(phenyl)methyl]benzonitrile

CAS Number	13428-06-3
PubChem CID	19003636
IUPAC Name	3-[hydroxy(phenyl)methyl]benzonitrile
Molecular Formula	C14H11NO
Molecular Weight	209.24
XLogP	2.5
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	261

SMILES

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

InChI

InChI=1S/C14H11NO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9,14,16H

InChIKey

BIWIUOMRUCYPSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13428-06-3

CID: 19003636

Formula: C14H11NO

MW: 209.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.24
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	209.084063974
Monoisotopic Mass	209.084063974
Topological Polar Surface Area	44 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1084555-01	3- (hydroxy (3-methoxyphenyl) methyl) benzonitrile
OR903520-01	2-Hydroxy-6-methyl-benzonitrile
OR29184	2-[cyano (phenyl) methyl]benzonitrile
OR1048678-01	4- (Hydroxy (phenyl) methyl) phenol
PC1011775-01	4-fluoro-3- ((4-fluorophenyl) (hydroxy) methyl) benzonitrile
OR1085466	4- (hydroxy (4-methoxyphenyl) methyl) benzonitrile
OR1055391-01	Methyl hydroxy (phenyl) carbamate
OR1097773-01	3- (3-Hydroxy-3-oxetanyl) benzonitrile
OR471411	Methyl 3-[Hydroxy (phenyl) methyl]isoxazole-4-carboxylate
PC1015689-01	Methyl 3-hydroxy-3- (3- (trifluoromethyl) phenyl) propanoate

Catalog	Name
FH42036-01	2-Hydroxy-4-methyl-benzonitrile
QAA46407-01	4-[Cyano (hydroxy) methyl]benzonitrile
418298-01	2-Hydroxy-6-methyl-benzonitrile
430042-01	4-[Hydroxy (2-methylphenyl) methyl]benzonitrile
429811-01	4-[ (3-Fluorophenyl) (hydroxy) methyl]benzonitrile
FH 1G 0120-01	Methyl 2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]benzoate
FH 1G 0124-01	[2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]phenyl]-phenylmethanol
TYD-04546-01	[Hydroxy (phenyl) methyl]succinyl-CoA
AR-K01049-01	2- (3- (hydroxy (phenyl) methyl) phenyl) propanoicacid
FH 1G 0121-01	2-[2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]phenyl]propan-2-ol