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100765-45-5 | 3-Pentanone, 1-(4-methoxyphenyl)-4-methyl-
CAS No: 100765-45-5 Catalog No: AG0002UE MDL No:
Product Description
Catalog Number:
AG0002UE
Chemical Name:
3-Pentanone, 1-(4-methoxyphenyl)-4-methyl-
CAS Number:
100765-45-5
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1-(4-methoxyphenyl)-4-methylpentan-3-one
InChI:
InChI=1S/C13H18O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-5,7-8,10H,6,9H2,1-3H3
InChI Key:
KKFCEJLGWHAPKO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCC(=O)C(C)C
Properties
Complexity:
191
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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