Ethyl beta-naphthoate

CAT: 0024-sc-280708Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-280708Size:10 g

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CAS Number

3007-91-8

Chemical Information

Ethyl 2-naphthoate

CAS Number	3007-91-8
PubChem CID	76363
IUPAC Name	ethyl naphthalene-2-carboxylate
Molecular Formula	C13H12O2
Molecular Weight	200.23
XLogP	4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	225

SMILES

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

InChI

InChI=1S/C13H12O2/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3

InChIKey

HQKSINSCHCDMLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3007-91-8

CID: 76363

Formula: C13H12O2

MW: 200.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	200.083729621
Monoisotopic Mass	200.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225
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-269001	Ethyl 1-naphthoate
sc-279089	Ethyl 3-Hydroxy-2-naphthoate
sc-487637	Sodium 2-Naphthoate
sc-228498	Methyl 2-naphthoate
sc-487635	Methyl 1-Naphthoate
sc-316465	4-Formylphenyl 1-naphthoate
sc-228925	Phenyl 1-hydroxy-2-naphthoate
sc-250352	Methyl 3-hydroxy-2-naphthoate
sc-220090	Salmeterol, 1-Hydroxy-2-naphthoate
sc-235645	Methyl 1-methoxy-2-naphthoate