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844477-48-1 | Butanedioic acid, (acetyloxy)-, 4-dodecyl 1-ethyl ester
CAS No: 844477-48-1 Catalog No: AG0055NL MDL No:
Product Description
Catalog Number:
AG0055NL
Chemical Name:
Butanedioic acid, (acetyloxy)-, 4-dodecyl 1-ethyl ester
CAS Number:
844477-48-1
Molecular Formula:
C20H36O6
Molecular Weight:
372.4962
IUPAC Name:
4-O-dodecyl 1-O-ethyl 2-acetyloxybutanedioate
InChI:
InChI=1S/C20H36O6/c1-4-6-7-8-9-10-11-12-13-14-15-25-19(22)16-18(26-17(3)21)20(23)24-5-2/h18H,4-16H2,1-3H3
InChI Key:
CHBFUEHRIACRPG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)CC(C(=O)OCC)OC(=O)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.251g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.502g/mol
Monoisotopic Mass:
372.251g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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