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114195-69-6 | 1-Propanone, 1-(2-acetylphenyl)-
CAS No: 114195-69-6 Catalog No: AG000ARS MDL No:
Product Description
Catalog Number:
AG000ARS
Chemical Name:
1-Propanone, 1-(2-acetylphenyl)-
CAS Number:
114195-69-6
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
1-(2-acetylphenyl)propan-1-one
InChI:
InChI=1S/C11H12O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h4-7H,3H2,1-2H3
InChI Key:
HTJSJXAHKLEWHK-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccccc1C(=O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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