Naphthalene, 2-ethynyl-6-methoxy-


Chemical Name: Naphthalene, 2-ethynyl-6-methoxy-
CAS Number: 129113-00-4
Product Number: AG000YVJ(AGN-PC-0LDPZT)
Synonyms:
MDL No:
Molecular Formula: C13H10O
Molecular Weight: 182.2179

Identification/Properties


Computed Properties
Molecular Weight:
182.222g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
182.073g/mol
Monoisotopic Mass:
182.073g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
237
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

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H318-H410
Precautionary Statements:
P273-P280-P305+P351+P338
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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