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890099-72-6 | 4-ACETOXY-4'-PROPYLBENZOPHENONE
CAS No: 890099-72-6 Catalog No: AG0043L3 MDL No:
Product Description
Catalog Number:
AG0043L3
Chemical Name:
4-ACETOXY-4'-PROPYLBENZOPHENONE
CAS Number:
890099-72-6
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
[4-(4-propylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C18H18O3/c1-3-4-14-5-7-15(8-6-14)18(20)16-9-11-17(12-10-16)21-13(2)19/h5-12H,3-4H2,1-2H3
InChI Key:
YQECFYLXIKCQLN-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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