4- (1-hydroxycyclobutyl) benzonitrile

CAT: 0127-OR1097542-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097542-01Size:250 mg

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CAS Number

214759-68-9

MDL Number

MFCD27947412

Purity

95%

Smiles

OC1 (CCC1) c1ccc (C#N) cc1

Chemical Information

4-(1-Hydroxycyclobutyl)benzonitrile

CAS Number	214759-68-9
PubChem CID	22481630
IUPAC Name	4-(1-hydroxycyclobutyl)benzonitrile
Molecular Formula	C11H11NO
Molecular Weight	173.21
XLogP	1.5
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	228

SMILES

C1CC(C1)(C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C11H11NO/c12-8-9-2-4-10(5-3-9)11(13)6-1-7-11/h2-5,13H,1,6-7H2

InChIKey

YBCRWEVBAAPJLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 214759-68-9

CID: 22481630

Formula: C11H11NO

MW: 173.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.21
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	173.084063974
Monoisotopic Mass	173.084063974
Topological Polar Surface Area	44 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	228
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
OR1097611-01	3- (1-hydroxycyclobutyl) benzonitrile
PC1019312-01	4-fluoro-3- (1-hydroxycyclobutyl) benzonitrile
OR1091752-01	Ethyl 4- (1-hydroxycyclobutyl) benzoate
OR1061642-01	4- (1-Hydroxycyclobutyl) benzoic acid
OR1086051-01	Benzoic acid, 4- (1-hydroxycyclobutyl) -, methyl ester
OR1091303-01	Isopropyl 2- (1-hydroxycyclobutyl) acetate
OR1059635-01	4- (1-Aminoethyl) benzonitrile
OR1079986-01	4- (1-bromoethyl) benzonitrile
OR1098686-01	4- (1-hydroxycyclopentyl) benzonitrile
OR1094173-01	4- (1-Phenylethoxy) benzonitrile

Catalog	Name
WTB15901-01	3- (1-Bromoethyl) benzonitrile
T8330-01	4- (1-Triazolylmethyl) -benzonitrile
QEA09869-01	3- (1-Hydroxyethyl) benzonitrile
TAD79473-01	4- (1-Methanesulfonylcyclopropyl) benzonitrile
JH184266	2- (1-hydroxyethyl) benzonitrile
AQ BD 0007-01	2- (1,1-diphenylethyl) benzonitrile
BEA86082-01	4- (1-Bromoethyl) benzonitrile
PQB64575-01	4- (1-Aminocyclopropyl) benzonitrile
CCA06735-01	4- (1-Hydroxyethyl) -benzonitrile
428397-01	4- (1-Aminoethyl) benzonitrile