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158817-25-5 | Benzene, 1-methoxy-4-[[[(3R)-3-methyl-4-pentyn-1-yl]oxy]methyl]-
CAS No: 158817-25-5 Catalog No: AG001QW8 MDL No:
Product Description
Catalog Number:
AG001QW8
Chemical Name:
Benzene, 1-methoxy-4-[[[(3R)-3-methyl-4-pentyn-1-yl]oxy]methyl]-
CAS Number:
158817-25-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
1-methoxy-4-[[(3R)-3-methylpent-4-ynoxy]methyl]benzene
InChI:
InChI=1S/C14H18O2/c1-4-12(2)9-10-16-11-13-5-7-14(15-3)8-6-13/h1,5-8,12H,9-11H2,2-3H3/t12-/m0/s1
InChI Key:
FCAWLKSVOOCTRW-LBPRGKRZSA-N
SMILES:
COc1ccc(cc1)COCC[C@H](C#C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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