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129113-00-4 | Naphthalene, 2-ethynyl-6-methoxy-
CAS No: 129113-00-4 Catalog No: AG000YVJ MDL No:MFCD00089947
Product Description
Catalog Number:
AG000YVJ
Chemical Name:
Naphthalene, 2-ethynyl-6-methoxy-
CAS Number:
129113-00-4
Molecular Formula:
C13H10O
Molecular Weight:
182.2179
MDL Number:
MFCD00089947
IUPAC Name:
2-ethynyl-6-methoxynaphthalene
InChI:
InChI=1S/C13H10O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h1,4-9H,2H3
InChI Key:
PATPLTUFXUXNDY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)C#C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.222g/mol
Monoisotopic Mass:
182.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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