Methyl 2- (4-aminophenyl) -2-hydroxyacetate

CAT: 0926-HHA91873-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-HHA91873-01Size:0.1 g

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CAS Number

182918-73-6

MDL Number

MFCD20694431

Smiles

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

Molecular Formula

C9H11NO3

Molecular Weight

181.2 g/mol

Controlled

Chemical Information

Methyl 2-(4-aminophenyl)-2-hydroxyacetate

CAS Number	182918-73-6
PubChem CID	17760165
IUPAC Name	methyl 2-(4-aminophenyl)-2-hydroxyacetate
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	0.5
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

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

InChI

InChI=1S/C9H11NO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,11H,10H2,1H3

InChIKey

GAMGLCCWIJAQFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 182918-73-6

CID: 17760165

Formula: C9H11NO3

MW: 181.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.19
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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
CFA70920-01	Methyl 2- (4-bromophenyl) -2-hydroxyacetate
KBA92527-01	Methyl 2- (3,4-dichlorophenyl) -2-hydroxyacetate
SKC76158-01	Methyl 2-cyclobutyl-2-hydroxyacetate
BQB15902-01	Methyl 2- (3,4-difluorophenyl) -2-hydroxyacetate
BAC22283-01	Methyl 2- (4-fluoro-2-methylphenyl) -2-hydroxyacetate
YDA73093-01	Methyl 2-cyclopropyl-2-hydroxyacetate
PBA16342-01	Methyl 2-cyclopentyl-2-hydroxyacetate
YLC53480-01	Methyl 2- (3-bromo-4-chlorophenyl) -2-hydroxyacetate
GGA27621-01	Methyl 2- (2-chlorophenyl) -2-hydroxyacetate
VKC83652-01	Methyl 2- (3-chloro-4-fluorophenyl) -2-hydroxyacetate

Catalog	Name
OR77704-01	Methyl 2- (4-aminophenyl) -2-hydroxyacetate
OR1058787-01	Methyl 2- (4- (dimethylamino) phenyl) -2-hydroxyacetate
OR78975-01	Methyl 2- (4- (tert-butyl) phenyl) -2-hydroxyacetate
OR85633-01	Methyl 2- (4-aminophenyl) propanoate
455353-01	Methyl 4- (4-aminophenyl) -2-fluorobenzoate
454731-01	Methyl 2- (4-Aminophenyl) -2-methylpropanoate
OR79252-01	Methyl 2- (4-aminophenyl) -2-methylpropanoate
OR322290	Methyl 2- (4-aminophenyl) quinoline-4-carboxylate
sc-348494	4-[ (2-aminophenyl) methyl]phenol hydrochloride
OR61406	Methyl 4-[2- (4-aminophenyl) ethyl]benzoate