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123020-51-9 | Benzoic acid, 4-(octyloxy)-, 4-(2-methyl-1-oxobutyl)phenyl ester
CAS No: 123020-51-9 Catalog No: AG000JZ0 MDL No:
Product Description
Catalog Number:
AG000JZ0
Chemical Name:
Benzoic acid, 4-(octyloxy)-, 4-(2-methyl-1-oxobutyl)phenyl ester
CAS Number:
123020-51-9
Molecular Formula:
C26H34O4
Molecular Weight:
410.5458
IUPAC Name:
[4-(2-methylbutanoyl)phenyl] 4-octoxybenzoate
InChI:
InChI=1S/C26H34O4/c1-4-6-7-8-9-10-19-29-23-15-13-22(14-16-23)26(28)30-24-17-11-21(12-18-24)25(27)20(3)5-2/h11-18,20H,4-10,19H2,1-3H3
InChI Key:
CNBUVYNZQKNHDA-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)C(CC)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.246g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.554g/mol
Monoisotopic Mass:
410.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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