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68133-36-8 | OCTADECANOIC ACID (4-ETHYL-2-HEPTADECYL-4,5-DIHYDRO-4-OXAZOLYL)METHYL ESTER
CAS No: 68133-36-8 Catalog No: AG006EZ6 MDL No:
Product Description
Catalog Number:
AG006EZ6
Chemical Name:
OCTADECANOIC ACID (4-ETHYL-2-HEPTADECYL-4,5-DIHYDRO-4-OXAZOLYL)METHYL ESTER
CAS Number:
68133-36-8
Molecular Formula:
C41H79NO3
Molecular Weight:
634.0709
IUPAC Name:
(4-ethyl-2-heptadecyl-5H-1,3-oxazol-4-yl)methyl octadecanoate
InChI:
InChI=1S/C41H79NO3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-42-41(6-3,37-44-39)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-38H2,1-3H3
InChI Key:
RABTYWWXOMZNAP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC1(CC)COC(=N1)CCCCCCCCCCCCCCCCC
EC Number:
268-679-8
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
633.606g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
634.087g/mol
Monoisotopic Mass:
633.606g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
17.3
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