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890099-79-3 | 4-ACETOXY-4'-HEXYLBENZOPHENONE
CAS No: 890099-79-3 Catalog No: AG0043L1 MDL No:
Product Description
Catalog Number:
AG0043L1
Chemical Name:
4-ACETOXY-4'-HEXYLBENZOPHENONE
CAS Number:
890099-79-3
Molecular Formula:
C21H24O3
Molecular Weight:
324.4135
IUPAC Name:
[4-(4-hexylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C21H24O3/c1-3-4-5-6-7-17-8-10-18(11-9-17)21(23)19-12-14-20(15-13-19)24-16(2)22/h8-15H,3-7H2,1-2H3
InChI Key:
PKAFXPLDTDQNMK-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.42g/mol
Monoisotopic Mass:
324.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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