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7154-71-4 | diethyl 2-octadecylpropanedioate
CAS No: 7154-71-4 Catalog No: AG005GRY MDL No:
Product Description
Catalog Number:
AG005GRY
Chemical Name:
diethyl 2-octadecylpropanedioate
CAS Number:
7154-71-4
Molecular Formula:
C25H48O4
Molecular Weight:
412.6462
IUPAC Name:
diethyl 2-octadecylpropanedioate
InChI:
InChI=1S/C25H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(26)28-5-2)25(27)29-6-3/h23H,4-22H2,1-3H3
InChI Key:
KTJAWNZADNYGFD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC
NSC Number:
73734
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.355g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.655g/mol
Monoisotopic Mass:
412.355g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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