Methyl 3-Methoxy-2-Naphthoate

CAT: 0127-OR1029158-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1029158-01Size:250 mg

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CAS Number

13041-60-6

Synonyms

Methyl 3-methoxynaphthalene-2-carboxylate

Purity

98%

Smiles

COC1=CC2=CC=CC=C2C=C1C(=O)OC

Chemical Information

Methyl 3-Methoxy-2-naphthoate

CAS Number	13041-60-6
PubChem CID	296952
IUPAC Name	methyl 3-methoxynaphthalene-2-carboxylate
Molecular Formula	C13H12O3
Molecular Weight	216.23
XLogP	3.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	252

SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)OC

InChI

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

InChIKey

MPLSAOVNAXJHHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13041-60-6

CID: 296952

Formula: C13H12O3

MW: 216.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.23
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	216.078644241
Monoisotopic Mass	216.078644241
Topological Polar Surface Area	35.5 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

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