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89434-63-9 | Butanedioic acid, tetraethoxy-, monododecyl ester
CAS No: 89434-63-9 Catalog No: AG0043JP MDL No:
Product Description
Catalog Number:
AG0043JP
Chemical Name:
Butanedioic acid, tetraethoxy-, monododecyl ester
CAS Number:
89434-63-9
Molecular Formula:
C24H45O8-
Molecular Weight:
461.6093
IUPAC Name:
4-dodecoxy-2,2,3,3-tetraethoxy-4-oxobutanoate
InChI:
InChI=1S/C24H46O8/c1-6-11-12-13-14-15-16-17-18-19-20-28-22(27)24(31-9-4,32-10-5)23(21(25)26,29-7-2)30-8-3/h6-20H2,1-5H3,(H,25,26)/p-1
InChI Key:
BCSIZCIKYKEGHC-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCOC(=O)C(C(C(=O)[O-])(OCC)OCC)(OCC)OCC
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.311g/mol
Formal Charge:
-1
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.616g/mol
Monoisotopic Mass:
461.311g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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