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123186-35-6 | Benzene, 1-[(5-hexyn-1-yloxy)methyl]-4-methoxy-
CAS No: 123186-35-6 Catalog No: AG000K4N MDL No:
Product Description
Catalog Number:
AG000K4N
Chemical Name:
Benzene, 1-[(5-hexyn-1-yloxy)methyl]-4-methoxy-
CAS Number:
123186-35-6
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
1-(hex-5-ynoxymethyl)-4-methoxybenzene
InChI:
InChI=1S/C14H18O2/c1-3-4-5-6-11-16-12-13-7-9-14(15-2)10-8-13/h1,7-10H,4-6,11-12H2,2H3
InChI Key:
SNNQEJDARURQIT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COCCCCC#C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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