3-Pyridineacetic acid, a-hydroxy-, methyl ester

CAT: 0127-OR1034847-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1034847-01Size:100 mg

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CAS Number

155705-86-5

Purity

97%

Smiles

O=C(C(C1=CC=CN=C1)O)OC

Chemical Information

Methyl 2-hydroxy-2-(pyridin-3-yl)acetate

CAS Number	155705-86-5
PubChem CID	50988557
IUPAC Name	methyl 2-hydroxy-2-pyridin-3-ylacetate
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	0.1
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

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

InChI

InChI=1S/C8H9NO3/c1-12-8(11)7(10)6-3-2-4-9-5-6/h2-5,7,10H,1H3

InChIKey

LFLUTXLJWJEMOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155705-86-5

CID: 50988557

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	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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
OR1035175-01	2-Pyridineacetic acid, 6-bromo-, methyl ester
OR80105-01	6-Chloro-5-methyl-3-pyridineacetic acid
OR913101	4-Hydroxy-3-propylbenzoic acid methyl ester
OR1091808-01	Pentanoic acid, 3-hydroxy-3-methyl-, ethyl ester
OR955657	3-Hydroxy-3-phenyl-propionic acid methyl ester
OR951528-01	6-Methoxy-3-pyridineacetic acid
OR919434-01	(R) - (-) -3-Hydroxy-2-methylpropionic acid methyl ester
OR1042708-01	Pentadecanoic acid, 15-hydroxy-, methyl ester
PC1026766-01	α, α,3-Trifluoro-2-pyridineacetic acid
OR1042692-01	Propanoic acid, 3-chloro-2-hydroxy-, Methyl ester

Catalog	Name
RM-S132240-01	Simvastatin Hydroxy Acid Methyl Ester; Tenivastatin Methyl Ester
289149-01	Simvastatin hydroxy acid methyl ester
T37680-01	3-hydroxy Palmitic Acid methyl ester
020951	Simvastatin Hydroxy Acid Methyl Ester (Tenivastatin)
HY-W342499-01	3-Hydroxy myristic acid methyl ester
T85262-01	3-hydroxy Stearic Acid methyl ester
GTR19191923-01	2-hydroxy Stearic Acid methyl ester
GTR19232270-01	15-hydroxy Pentadecanoic Acid methyl ester
GTR19232163-01	2-hydroxy Myristic Acid methyl ester
T85176-01	2-hydroxy Arachidic Acid methyl ester