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20103-35-9 | Octadecanoic acid, [2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl]methyl ester
CAS No: 20103-35-9 Catalog No: AG002D6N MDL No:
Product Description
Catalog Number:
AG002D6N
Chemical Name:
Octadecanoic acid, [2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl]methyl ester
CAS Number:
20103-35-9
Molecular Formula:
C40H77NO4
Molecular Weight:
636.0437
IUPAC Name:
[2-heptadecyl-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methyl octadecanoate
InChI:
InChI=1S/C40H77NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-41-40(35-42,36-44-38)37-45-39(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-37H2,1-2H3
InChI Key:
DWWUGXOZBYVGJN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)COC(=N1)CCCCCCCCCCCCCCCCC
EC Number:
243-516-3
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.585g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
636.059g/mol
Monoisotopic Mass:
635.585g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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