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832077-61-9 | Oxazole, 5-(3-furanyl)-2-[(8Z)-8-heptadecenylsulfinyl]-
CAS No: 832077-61-9 Catalog No: AG005977 MDL No:
Product Description
Catalog Number:
AG005977
Chemical Name:
Oxazole, 5-(3-furanyl)-2-[(8Z)-8-heptadecenylsulfinyl]-
CAS Number:
832077-61-9
Molecular Formula:
C24H37NO3S
Molecular Weight:
419.6205
IUPAC Name:
5-(furan-3-yl)-2-heptadec-8-enylsulfinyl-1,3-oxazole
InChI:
InChI=1S/C24H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29(26)24-25-20-23(28-24)22-17-18-27-21-22/h9-10,17-18,20-21H,2-8,11-16,19H2,1H3
InChI Key:
BQVDTCWRHDXKER-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCS(=O)c1ncc(o1)c1ccoc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.249g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.624g/mol
Monoisotopic Mass:
419.249g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
7.8
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