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89413-18-3 | Butanedioic acid, triethoxy-, monodecyl ester
CAS No: 89413-18-3 Catalog No: AG0043ZV MDL No:
Product Description
Catalog Number:
AG0043ZV
Chemical Name:
Butanedioic acid, triethoxy-, monodecyl ester
CAS Number:
89413-18-3
Molecular Formula:
C20H37O7-
Molecular Weight:
389.5036
IUPAC Name:
4-decoxy-2,3,3-triethoxy-4-oxobutanoate
InChI:
InChI=1S/C20H38O7/c1-5-9-10-11-12-13-14-15-16-25-19(23)20(26-7-3,27-8-4)17(18(21)22)24-6-2/h17H,5-16H2,1-4H3,(H,21,22)/p-1
InChI Key:
LFWIMHURPXADSX-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCOC(=O)C(C(C(=O)[O-])OCC)(OCC)OCC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.254g/mol
Formal Charge:
-1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.509g/mol
Monoisotopic Mass:
389.254g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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