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890099-05-5 | 3-ACETOXY-2',3'-DIMETHYLBENZOPHENONE
CAS No: 890099-05-5 Catalog No: AG0044RA MDL No:
Product Description
Catalog Number:
AG0044RA
Chemical Name:
3-ACETOXY-2',3'-DIMETHYLBENZOPHENONE
CAS Number:
890099-05-5
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
[3-(2,3-dimethylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C17H16O3/c1-11-6-4-9-16(12(11)2)17(19)14-7-5-8-15(10-14)20-13(3)18/h4-10H,1-3H3
InChI Key:
OIUCVWIJISSBFS-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)C(=O)c1cccc(c1C)C
Properties
Complexity:
363
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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