Ethyl 3-Hydroxy-2-naphthoate

CAT: 0024-sc-279089Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-279089Size:250 mg

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CAS Number

7163-25-9

Chemical Information

Ethyl 3-Hydroxy-2-naphthoate

CAS Number	7163-25-9
PubChem CID	737040
IUPAC Name	ethyl 3-hydroxynaphthalene-2-carboxylate
Molecular Formula	C13H12O3
Molecular Weight	216.23
XLogP	4.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	252

SMILES

CCOC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C13H12O3/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8,14H,2H2,1H3

InChIKey

CVEOWBRXZJEZRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7163-25-9

CID: 737040

Formula: C13H12O3

MW: 216.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.23
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	216.078644241
Monoisotopic Mass	216.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	252
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-250352	Methyl 3-hydroxy-2-naphthoate
sc-236357	Phenyl 3-hydroxy-2-naphthoate
sc-487929	Sodium 3-Hydroxy-2-naphthoate
sc-489723	Methyl 6-Hydroxy-2-naphthoate
sc-228925	Phenyl 1-hydroxy-2-naphthoate
sc-220090	Salmeterol, 1-Hydroxy-2-naphthoate
sc-253021	Methyl 1-hydroxy-2-naphthoate
sc-269428	Methyl 2-hydroxy-1-naphthoate
sc-280708	Ethyl beta-naphthoate
sc-280708A	Ethyl beta-naphthoate

Catalog	Name
OR27972-01	Ethyl 3-hydroxy-2-naphthoate
OR1013221	Ethyl 6-Hydroxy-2-Naphthoate
OR1056999-01	Ethyl 4-hydroxy-2-naphthoate
OR1054300	Ethyl 7-bromo-3-hydroxy-2-naphthoate
GTR19202332	Ethyl 2-naphthoate
OR1048025-01	Ethyl 1-hydroxy-7-methoxy-2-naphthoate
PC210131-01	Ethyl 6-fluoro-4-hydroxy-2-naphthoate
E12900	Ethyl 2-naphthoate 97%
OR1065195-01	Ethyl 1,3-dihydroxy-2-naphthoate
OR93634	Ethyl 4-hydroxy-8-methoxy-5-methyl-2-naphthoate