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890100-31-9 | 4-ACETOXY-2',4'-DIMETHYLBENZOPHENONE
CAS No: 890100-31-9 Catalog No: AG0043KQ MDL No:
Product Description
Catalog Number:
AG0043KQ
Chemical Name:
4-ACETOXY-2',4'-DIMETHYLBENZOPHENONE
CAS Number:
890100-31-9
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
[4-(2,4-dimethylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C17H16O3/c1-11-4-9-16(12(2)10-11)17(19)14-5-7-15(8-6-14)20-13(3)18/h4-10H,1-3H3
InChI Key:
JOBLZQWKIDTGAW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=O)c1ccc(cc1C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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