2- (4-Aminophenyl) -2-hydroxyacetic acid

CAT: 0127-OR1102029-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102029-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

13104-66-0

MDL Number

MFCD20638627

Purity

95%

Smiles

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

Chemical Information

2-(4-Aminophenyl)-2-hydroxyacetic acid

CAS Number	13104-66-0
PubChem CID	18003691
IUPAC Name	2-(4-aminophenyl)-2-hydroxyacetic acid
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	-0.1
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	164

SMILES

C1=CC(=CC=C1C(C(=O)O)O)N

InChI

InChI=1S/C8H9NO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,9H2,(H,11,12)

InChIKey

YJGSMLNQLMZMJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13104-66-0

CID: 18003691

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164
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
OR1036264-01	2- (3-Aminophenyl) -2-hydroxyacetic acid
OR1071578-01	2- (4-Cyclopropylphenyl) -2-hydroxyacetic acid
OR79812-01	2- (4-Ethylphenyl) -2-hydroxyacetic acid
OR74309-01	(R) -2- (4-Chlorophenyl) -2-hydroxyacetic acid
PC103377-01	(R) -2- (4-Fluorophenyl) -2-hydroxyacetic acid
OR310337-01	(2R) -2- (4-Bromophenyl) -2-hydroxyacetic acid
PC110385-01	(S) -2- (4-Fluorophenyl) -2-hydroxyacetic acid
OR310335-01	(2S) -2- (4-Bromophenyl) -2-hydroxyacetic acid
OR1024727-01	2-Benzamido-2-Hydroxyacetic Acid
PC1006914-01	2- (2-Fluoro-4-hydroxyphenyl) -2-hydroxyacetic acid

Catalog	Name
NAA10466-01	2- (4-Aminophenyl) -2-hydroxyacetic acid
CCA94427-01	2- (3-Aminophenyl) -2-hydroxyacetic acid
GAB89716-01	2- (4-Cyanophenyl) -2-hydroxyacetic acid
RLC52202-01	2- (4-Cyclopropylphenyl) -2-hydroxyacetic acid
HAA55478-01	2- (2,4-Dichlorophenyl) -2-hydroxyacetic acid
VKC65144-01	2- (4-tert-Butylcyclohexyl) -2-hydroxyacetic acid
YEA48490-01	(2S) -2- (4-Bromophenyl) -2-hydroxyacetic acid
HBA22245-01	(2R) -2- (4-Fluorophenyl) -2-hydroxyacetic acid
GCA07199-01	2- (3,4-Dichlorophenyl) -2-hydroxyacetic acid
CCA92325	(2S) -2- (4-Fluorophenyl) -2-hydroxyacetic acid