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89725-66-6 | Ethanone, 1,1',1''-(1,2,4-benzenetriyl)tris-
CAS No: 89725-66-6 Catalog No: AG00430B MDL No:
Product Description
Catalog Number:
AG00430B
Chemical Name:
Ethanone, 1,1',1''-(1,2,4-benzenetriyl)tris-
CAS Number:
89725-66-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
1-(3,4-diacetylphenyl)ethanone
InChI:
InChI=1S/C12H12O3/c1-7(13)10-4-5-11(8(2)14)12(6-10)9(3)15/h4-6H,1-3H3
InChI Key:
DHCIAVVQOMVUPC-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1C(=O)C)C(=O)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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