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100-06-1 | Ethanone, 1-(4-methoxyphenyl)-
CAS No: 100-06-1 Catalog No: AG000061 MDL No:MFCD00008745
Product Description
Catalog Number:
AG000061
Chemical Name:
Ethanone, 1-(4-methoxyphenyl)-
CAS Number:
100-06-1
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00008745
IUPAC Name:
1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI Key:
NTPLXRHDUXRPNE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C
UNII:
0IRH2BR587
FEMA Number:
2005
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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