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84736-54-9 | 2-(4-Methoxyphenyl)pentan-3-one
CAS No: 84736-54-9 Catalog No: AG004OYU MDL No:
Product Description
Catalog Number:
AG004OYU
Chemical Name:
2-(4-Methoxyphenyl)pentan-3-one
CAS Number:
84736-54-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-(4-methoxyphenyl)pentan-3-one
InChI:
InChI=1S/C12H16O2/c1-4-12(13)9(2)10-5-7-11(14-3)8-6-10/h5-9H,4H2,1-3H3
InChI Key:
DTLQGRAGKDDPQT-UHFFFAOYSA-N
SMILES:
CCC(=O)C(c1ccc(cc1)OC)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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