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163124-14-9 | Benzoic acid, 4-benzoyl-, 12-[4-(phenylmethyl)phenoxy]dodecyl ester
CAS No: 163124-14-9 Catalog No: AG001TRX MDL No:
Product Description
Catalog Number:
AG001TRX
Chemical Name:
Benzoic acid, 4-benzoyl-, 12-[4-(phenylmethyl)phenoxy]dodecyl ester
CAS Number:
163124-14-9
Molecular Formula:
C39H44O4
Molecular Weight:
576.7643
IUPAC Name:
12-(4-benzylphenoxy)dodecyl 4-benzoylbenzoate
InChI:
InChI=1S/C39H44O4/c40-38(34-19-13-10-14-20-34)35-23-25-36(26-24-35)39(41)43-30-16-8-6-4-2-1-3-5-7-15-29-42-37-27-21-33(22-28-37)31-32-17-11-9-12-18-32/h9-14,17-28H,1-8,15-16,29-31H2
InChI Key:
WAXUJZGTOSNXPX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)c1ccccc1)OCCCCCCCCCCCCOc1ccc(cc1)Cc1ccccc1
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.324g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
576.777g/mol
Monoisotopic Mass:
576.324g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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