3-ethoxy-2-naphthoic acid

CAT: 0024-sc-276216Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-276216Size:250 mg

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CAS Number

54245-36-2

Chemical Information

3-Ethoxy-2-naphthoic acid

CAS Number	54245-36-2
PubChem CID	9533919
IUPAC Name	3-ethoxynaphthalene-2-carboxylic acid
Molecular Formula	C13H12O3
Molecular Weight	216.23
XLogP	3
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

CCOC1=CC2=CC=CC=C2C=C1C(=O)O

InChI

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

InChIKey

RZBCENNFWITWFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54245-36-2

CID: 9533919

Formula: C13H12O3

MW: 216.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.23
XLogP3	3
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-275798	3- (acetylamino) -2-naphthoic acid
sc-275975	3-Amino-2-naphthoic acid
sc-346971A	3-iodo-2-naphthoic acid
sc-238166	2-Naphthoic acid
sc-346971	3-iodo-2-naphthoic acid
sc-275975A	3-Amino-2-naphthoic acid
sc-238560	3-Hydroxy-2-naphthoic acid
sc-252020	3-Methoxy-2-naphthoic acid
sc-345819A	3-[ (cyclopropylcarbonyl) amino]-2-naphthoic acid
sc-232109	3,5-Dihydroxy-2-naphthoic acid

Catalog	Name
OR1072405-01	3-Ethoxy-2-naphthoic acid
OR1026870-01	2-Ethoxy-1-Naphthoic Acid
OR1098274-01	1-Ethoxy-2-naphthoic acid
OR91570-01	6-Ethoxy-2-naphthoic acid
OR1100821-01	4-Ethoxy-1-naphthoic acid
OR1093398-01	5-Chloro-6-ethoxy-2-naphthoic acid
RG-A263314-01	2-Naphthoic Acid
HY-W005148-01	3-Amino-2-naphthoic acid
425933-01	3-Hydroxy-2-naphthoic acid
TRC-B745520-500MG	3-Bromo-2-naphthoic Acid