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14958-00-0 | 2-Butanone, 3-(4-methoxyphenyl)-3-methyl-
CAS No: 14958-00-0 Catalog No: AG001LUO MDL No:
Product Description
Catalog Number:
AG001LUO
Chemical Name:
2-Butanone, 3-(4-methoxyphenyl)-3-methyl-
CAS Number:
14958-00-0
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-(4-methoxyphenyl)-3-methylbutan-2-one
InChI:
InChI=1S/C12H16O2/c1-9(13)12(2,3)10-5-7-11(14-4)8-6-10/h5-8H,1-4H3
InChI Key:
GPTKQSXOITXAQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(=O)C)(C)C
Properties
Complexity:
200
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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