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137956-23-1 | Dodecanoic acid, triacontyl ester
CAS No: 137956-23-1 Catalog No: AG0017PM MDL No:
Product Description
Catalog Number:
AG0017PM
Chemical Name:
Dodecanoic acid, triacontyl ester
CAS Number:
137956-23-1
Molecular Formula:
C42H84O2
Molecular Weight:
621.1152
IUPAC Name:
triacontyl dodecanoate
InChI:
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-44-42(43)40-38-36-34-32-12-10-8-6-4-2/h3-41H2,1-2H3
InChI Key:
OQGFMFIJZAGOST-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.647g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
621.132g/mol
Monoisotopic Mass:
620.647g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.6
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