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Methyl 1-naphthylacetate

CAT: 0931-T33330-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33330-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2876-78-0
Target
Others
Related Pathways
Others
Bioactivity
Methyl 1-naphthylacetate is a bioactive chemical.
Smiles
COC(=O)Cc1cccc2ccccc12
Molecular Formula
C13H12O2
Molecular Weight
200.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 1-naphthylacetate
CAS Number2876-78-0
PubChem CID17891
IUPAC Namemethyl 2-naphthalen-1-ylacetate
Molecular FormulaC13H12O2
Molecular Weight200.23
XLogP3.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
COC(=O)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKey
YGGXZTQSGNFKPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 1-naphthylacetate
CAS: 2876-78-0
CID: 17891
Formula: C13H12O2
MW: 200.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass200.083729621
Monoisotopic Mass200.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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