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797752-88-6 | 3-Hexenamide, N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-, (3E)-
CAS No: 797752-88-6 Catalog No: AG005HDW MDL No:
Product Description
Catalog Number:
AG005HDW
Chemical Name:
3-Hexenamide, N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-, (3E)-
CAS Number:
797752-88-6
Molecular Formula:
C24H45NO3
Molecular Weight:
395.6190
IUPAC Name:
N-(1,3-dihydroxyoctadec-4-en-2-yl)hex-3-enamide
InChI:
InChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h6,17-19,22-23,26-27H,3-5,7-16,20-21H2,1-2H3,(H,25,28)
InChI Key:
SKKBMXPSJUATTA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC=CC(C(NC(=O)C/C=C/CC)CO)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.34g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
395.628g/mol
Monoisotopic Mass:
395.34g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
6.9
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