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717915-97-4 | 4'-iso-Butoxy-2'-methylacetophenone
CAS No: 717915-97-4 Catalog No: AG01EX30 MDL No:
Product Description
Catalog Number:
AG01EX30
Chemical Name:
4'-iso-Butoxy-2'-methylacetophenone
CAS Number:
717915-97-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C13H18O2/c1-9(2)8-15-12-5-6-13(11(4)14)10(3)7-12/h5-7,9H,8H2,1-4H3
InChI Key:
BCQNGAKCVODOER-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(c(c1)C)C(=O)C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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