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Methyl 1-methyl-2-naphthoate

CAT: 0127-OR1045341-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1045341-01Size:100 mg
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CAS Number
73721-17-2
MDL Number
MFCD18415058
Purity
95%
Smiles
O=C(OC)C1=CC=C2C=CC=CC2=C1C

Chemical Information

Methyl 1-methylnaphthalene-2-carboxylate
CAS Number73721-17-2
PubChem CID13491498
IUPAC Namemethyl 1-methylnaphthalene-2-carboxylate
Molecular FormulaC13H12O2
Molecular Weight200.23
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
CC1=C(C=CC2=CC=CC=C12)C(=O)OC
InChI
InChI=1S/C13H12O2/c1-9-11-6-4-3-5-10(11)7-8-12(9)13(14)15-2/h3-8H,1-2H3
InChIKey
RJCOLHYGLMOBPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 1-methylnaphthalene-2-carboxylate
CAS: 73721-17-2
CID: 13491498
Formula: C13H12O2
MW: 200.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass200.083729621
Monoisotopic Mass200.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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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