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890099-70-4 | 4-ACETOXY-4'-TERT-BUTYLBENZOPHENONE
CAS No: 890099-70-4 Catalog No: AG0044O2 MDL No:
Product Description
Catalog Number:
AG0044O2
Chemical Name:
4-ACETOXY-4'-TERT-BUTYLBENZOPHENONE
CAS Number:
890099-70-4
Molecular Formula:
C19H20O3
Molecular Weight:
296.3603
IUPAC Name:
[4-(4-tert-butylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C19H20O3/c1-13(20)22-17-11-7-15(8-12-17)18(21)14-5-9-16(10-6-14)19(2,3)4/h5-12H,1-4H3
InChI Key:
FEBKAADRHRUDOU-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.366g/mol
Monoisotopic Mass:
296.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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