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16882-23-8 | 2-Propanone, 1-(4-methoxy-3-methylphenyl)-
CAS No: 16882-23-8 Catalog No: AG001YBM MDL No:MFCD00210447
Product Description
Catalog Number:
AG001YBM
Chemical Name:
2-Propanone, 1-(4-methoxy-3-methylphenyl)-
CAS Number:
16882-23-8
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00210447
IUPAC Name:
1-(4-methoxy-3-methylphenyl)propan-2-one
InChI:
InChI=1S/C11H14O2/c1-8-6-10(7-9(2)12)4-5-11(8)13-3/h4-6H,7H2,1-3H3
InChI Key:
QSBPLIJLGSKDTH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)CC(=O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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