Ethyl 4-hydroxynicotinate

CAT: 0024-sc-300607ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-300607ASize:1 g

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CAS Number

57905-31-4

Chemical Information

Ethyl 4-hydroxynicotinate

CAS Number	57905-31-4
PubChem CID	817292
IUPAC Name	ethyl 4-oxo-1H-pyridine-3-carboxylate
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	0.6
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	265

SMILES

CCOC(=O)C1=CNC=CC1=O

InChI

InChI=1S/C8H9NO3/c1-2-12-8(11)6-5-9-4-3-7(6)10/h3-5H,2H2,1H3,(H,9,10)

InChIKey

ADNXCHQUIPXULO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57905-31-4

CID: 817292

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	0.6
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	55.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	265
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
sc-506749	Ethyl 5-hydroxynicotinate
sc-328721A	Methyl 4-hydroxynicotinate
sc-328721	Methyl 4-hydroxynicotinate
sc-268559	Benzyl 6-hydroxynicotinate
sc-328794A	Methyl 5-bromo-6-hydroxynicotinate
sc-257770A	Methyl 5-bromo-2-hydroxynicotinate
sc-257770	Methyl 5-bromo-2-hydroxynicotinate
sc-328794	Methyl 5-bromo-6-hydroxynicotinate
sc-285529	Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate
sc-496538	4-Ethyl-4-piperidinamine

Catalog	Name
449280-01	Ethyl 4-Hydroxynicotinate
OR51770-01	Ethyl 5-hydroxynicotinate
OR110955	Ethyl 6-hydroxynicotinate
449441-01	Ethyl 5-hydroxynicotinate, HCl
TRC-E179770-250MG	Ethyl 5-Cyano-6-hydroxynicotinate
OR111283-01	Ethyl 5-chloro-2-hydroxynicotinate
OR1051648	Ethyl 6-chloro-5-hydroxynicotinate
OR110893-01	Ethyl 5-bromo-6-hydroxynicotinate
OR110895	Ethyl 5-chloro-6-hydroxynicotinate
ZJB36539-01	Ethyl 4-ethyl-4-piperidinecarboxylate hydrochloride