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87657-49-6 | octadecyl (Z)-tetracos-9-enoate
CAS No: 87657-49-6 Catalog No: AG004O0Q MDL No:
Product Description
Catalog Number:
AG004O0Q
Chemical Name:
octadecyl (Z)-tetracos-9-enoate
CAS Number:
87657-49-6
Molecular Formula:
C42H82O2
Molecular Weight:
619.0993
IUPAC Name:
octadecyl tetracos-9-enoate
InChI:
InChI=1S/C42H82O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-41H2,1-2H3
InChI Key:
BOPSFSIULRPQCU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCCCCCCCC
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
618.631g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
619.116g/mol
Monoisotopic Mass:
618.631g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
19.7
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