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138451-93-1 | Propanedioic acid, 2-(1-oxotetradecyl)-, 1,3-didodecyl ester
CAS No: 138451-93-1 Catalog No: AG00196I MDL No:
Product Description
Catalog Number:
AG00196I
Chemical Name:
Propanedioic acid, 2-(1-oxotetradecyl)-, 1,3-didodecyl ester
CAS Number:
138451-93-1
Molecular Formula:
C41H78O5
Molecular Weight:
651.0550
IUPAC Name:
didodecyl 2-tetradecanoylpropanedioate
InChI:
InChI=1S/C41H78O5/c1-4-7-10-13-16-19-22-23-26-29-32-35-38(42)39(40(43)45-36-33-30-27-24-20-17-14-11-8-5-2)41(44)46-37-34-31-28-25-21-18-15-12-9-6-3/h39H,4-37H2,1-3H3
InChI Key:
OXYFZPVKDYLTIA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)C(C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.585g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
651.07g/mol
Monoisotopic Mass:
650.585g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.5
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