2-[4- (2-Hydroxyethoxy) phenyl]acetonitrile

CAT: 0926-YCA86461-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-YCA86461-01Size:100 mg

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CAS Number

73864-61-6

MDL Number

MFCD09940550

Smiles

C1=CC (=CC=C1CC#N) OCCO

Molecular Formula

C10H11NO2

Molecular Weight

177.2 g/mol

Controlled

Chemical Information

2-[4-(2-Hydroxyethoxy)phenyl]acetonitrile

CAS Number	73864-61-6
PubChem CID	20535716
IUPAC Name	2-[4-(2-hydroxyethoxy)phenyl]acetonitrile
Molecular Formula	C10H11NO2
Molecular Weight	177.20
XLogP	0.9
Topological Polar Surface Area	53.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	177

SMILES

C1=CC(=CC=C1CC#N)OCCO

InChI

InChI=1S/C10H11NO2/c11-6-5-9-1-3-10(4-2-9)13-8-7-12/h1-4,12H,5,7-8H2

InChIKey

VMBRYBBPGMAXEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73864-61-6

CID: 20535716

Formula: C10H11NO2

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.20
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	177.078978594
Monoisotopic Mass	177.078978594
Topological Polar Surface Area	53.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	177
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
SAA98341-01	2-[4- (Trimethylsilyl) phenyl]acetonitrile
JWC78525-01	2-[4- (Aminomethyl) phenyl]acetonitrile
HAA37194-01	2-[4- (Bromomethyl) phenyl]acetonitrile
UFA82518-01	2-[4- (Hydroxymethyl) phenyl]acetonitrile
LEA73559-01	2-[4- (Methoxymethyl) phenyl]acetonitrile
HWB68594-01	2-[4- (Cyclohexylamino) phenyl]acetonitrile
PNA10555	2-[4- (2-Pyrimidinyloxy) phenyl]acetonitrile
QDA84474-01	2-[4- (2-Bromoethoxy) phenyl]acetonitrile
NAA42753-01	4- (2-Hydroxyethoxy) phenol
DXC61154-01	2-Fluoro-2-[4- (trifluoromethyl) phenyl]acetonitrile

Catalog	Name
OR89896-01	(4- (2-Hydroxyethoxy) phenyl) (phenyl) methanone
H998170	[4-(2-Hydroxyethoxy)phenyl]phenylmethanone
428645-01	[4- (2-Hydroxyethoxy) phenyl]phenylmethanone
OR96091-01	(2-Hydroxy-4- (2-hydroxyethoxy) phenyl) (phenyl) methanone
OR1095439	1- (4- (2-Hydroxyethoxy) phenyl) ethanone
OR1028323-01	Bis[4- (2-Hydroxyethoxy) Phenyl] Sulfone
OR1053772-01	(4- (2-Hydroxyethoxy) phenyl) boronic acid
TRC-H958470-25MG	(4-(2-Hydroxyethoxy)phenyl)(4-hydroxyphenyl)methanone
277847-01	2- (4-Fluorophenyl) -2-phenyl acetonitrile
sc-306204	2-[4- (2-Pyrimidinyloxy) phenyl]acetonitrile