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131355-99-2 | Benzoic acid, 2,5-bis[(4-butoxybenzoyl)oxy]-, 3-buten-1-yl ester
CAS No: 131355-99-2 Catalog No: AG000W05 MDL No:
Product Description
Catalog Number:
AG000W05
Chemical Name:
Benzoic acid, 2,5-bis[(4-butoxybenzoyl)oxy]-, 3-buten-1-yl ester
CAS Number:
131355-99-2
Molecular Formula:
C33H36O8
Molecular Weight:
560.6341
IUPAC Name:
but-3-enyl 2,5-bis[(4-butoxybenzoyl)oxy]benzoate
InChI:
InChI=1S/C33H36O8/c1-4-7-20-37-26-14-10-24(11-15-26)31(34)40-28-18-19-30(29(23-28)33(36)39-22-9-6-3)41-32(35)25-12-16-27(17-13-25)38-21-8-5-2/h6,10-19,23H,3-5,7-9,20-22H2,1-2H3
InChI Key:
YINVLBLBVQWTLW-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)Oc1ccc(c(c1)C(=O)OCCC=C)OC(=O)c1ccc(cc1)OCCCC
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.241g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.643g/mol
Monoisotopic Mass:
560.241g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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