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890099-91-9 | 4-ACETOXY-4'-HEXYLOXYBENZOPHENONE
CAS No: 890099-91-9 Catalog No: AG00443Y MDL No:
Product Description
Catalog Number:
AG00443Y
Chemical Name:
4-ACETOXY-4'-HEXYLOXYBENZOPHENONE
CAS Number:
890099-91-9
Molecular Formula:
C21H24O4
Molecular Weight:
340.4129
IUPAC Name:
[4-(4-hexoxybenzoyl)phenyl] acetate
InChI:
InChI=1S/C21H24O4/c1-3-4-5-6-15-24-19-11-7-17(8-12-19)21(23)18-9-13-20(14-10-18)25-16(2)22/h7-14H,3-6,15H2,1-2H3
InChI Key:
GWXRQFRUFKHJJE-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.419g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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