Methyl (4-cyanophenoxy) acetate

CAT: 0127-OR952046-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR952046-01Size:1 g

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CAS Number

272792-14-0

MDL Number

MFCD05855148

Purity

98%

Smiles

COC(=O)COc1ccc(cc1)C#N

Chemical Information

Methyl 2-(4-cyanophenoxy)acetate

CAS Number	272792-14-0
PubChem CID	1506457
IUPAC Name	methyl 2-(4-cyanophenoxy)acetate
Molecular Formula	C10H9NO3
Molecular Weight	191.18
XLogP	1.1
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	235

SMILES

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

InChI

InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3

InChIKey

MAVSETCJUQQWBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 272792-14-0

CID: 1506457

Formula: C10H9NO3

MW: 191.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.18
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	191.058243149
Monoisotopic Mass	191.058243149
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235
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
OR1075999	Methyl 2- (4-Bromo-2-cyanophenoxy) acetate
OR32580-01	Methyl 2- (2-cyanophenoxy) acetate
OR1055145-01	Ethyl 2- (4-cyanophenoxy) acetate
OR1056288-01	Methyl 4- (4-cyanophenoxy) benzoate
OR111594-01	Ethyl (4-bromo-2-cyanophenoxy) acetate
OR1046733-01	Methyl 3- (4-cyanophenoxy) benzoate
OR1031284-01	Tetrakis[ (4-cyanophenoxy) methyl]methane
OR1074076-01	2-Bromo-5- (4-cyanophenoxy) benzyl acetate
OR1092470-01	Methyl 2- (4-cyanophenoxy) -2-methylpropanoate
OR90228	Ethyl 2- (2-cyanophenoxy) acetate

Catalog	Name
454588-01	Methyl (4-cyanophenoxy) acetate
HY-W005340-01	Methyl (4-cyanophenyl) acetate
sc-228476	Methyl (4-chlorobenzoyl) acetate
sc-263471	Methyl (4-boronobenzoylamino) acetate
FM67976-01	Methyl (4-butoxyphenyl) acetate
281813-01	Methyl- (4-bromophenoxy) acetate
454586-01	Methyl (4-Aminophenoxy) acetate
JH657812	(4-methylphenyl) methyl acetate
sc-337910	Methyl (4-isothiocyanatophenyl) acetate
sc-337985A	Methyl 4-fluorophenyl acetate