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125606-09-9 | Nonanedioic acid, bis[4-[(4-butoxybenzoyl)oxy]phenyl] ester (9CI)
CAS No: 125606-09-9 Catalog No: AG000NXZ MDL No:
Product Description
Catalog Number:
AG000NXZ
Chemical Name:
Nonanedioic acid, bis[4-[(4-butoxybenzoyl)oxy]phenyl] ester (9CI)
CAS Number:
125606-09-9
Molecular Formula:
C43H48O10
Molecular Weight:
724.8352
IUPAC Name:
bis[4-(4-butoxybenzoyl)oxyphenyl] nonanedioate
InChI:
InChI=1S/C43H48O10/c1-3-5-30-48-34-18-14-32(15-19-34)42(46)52-38-26-22-36(23-27-38)50-40(44)12-10-8-7-9-11-13-41(45)51-37-24-28-39(29-25-37)53-43(47)33-16-20-35(21-17-33)49-31-6-4-2/h14-29H,3-13,30-31H2,1-2H3
InChI Key:
RADUBFOJGAUWFF-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC(=O)CCCCCCCC(=O)Oc1ccc(cc1)OC(=O)c1ccc(cc1)OCCCC
Properties
Complexity:
965
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
724.325g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
724.847g/mol
Monoisotopic Mass:
724.325g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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