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890099-93-1 | 4-ACETOXY-4'-HEPTYLOXYBENZOPHENONE
CAS No: 890099-93-1 Catalog No: AG00443X MDL No:
Product Description
Catalog Number:
AG00443X
Chemical Name:
4-ACETOXY-4'-HEPTYLOXYBENZOPHENONE
CAS Number:
890099-93-1
Molecular Formula:
C22H26O4
Molecular Weight:
354.4394
IUPAC Name:
[4-(4-heptoxybenzoyl)phenyl] acetate
InChI:
InChI=1S/C22H26O4/c1-3-4-5-6-7-16-25-20-12-8-18(9-13-20)22(24)19-10-14-21(15-11-19)26-17(2)23/h8-15H,3-7,16H2,1-2H3
InChI Key:
AUYNCUHACGSQRQ-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)C(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.446g/mol
Monoisotopic Mass:
354.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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