Methyl 2-naphthylacetate

CAT: 0127-OR111126-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR111126-01Size:250 mg

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CAS Number

2876-71-3

MDL Number

MFCD09263745

Purity

98%

Smiles

COC(=O)Cc1ccc2ccccc2c1

Chemical Information

Methyl 2-naphthaleneacetate

CAS Number	2876-71-3
PubChem CID	5314037
IUPAC Name	methyl 2-naphthalen-2-ylacetate
Molecular Formula	C13H12O2
Molecular Weight	200.23
XLogP	3.1
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

COC(=O)CC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H12O2/c1-15-13(14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3

InChIKey

BGYOCQOJCMPTCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2876-71-3

CID: 5314037

Formula: C13H12O2

MW: 200.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	3.1
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
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Catalog	Name
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