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26408-39-9 | Glycine, N-methyl-N-[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]-
CAS No: 26408-39-9 Catalog No: AG002T3F MDL No:
Product Description
Catalog Number:
AG002T3F
Chemical Name:
Glycine, N-methyl-N-[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]-
CAS Number:
26408-39-9
Molecular Formula:
C21H37NO3
Molecular Weight:
351.5234
IUPAC Name:
2-[methyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]acetic acid
InChI:
InChI=1S/C21H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h7-8,10-11H,3-6,9,12-19H2,1-2H3,(H,24,25)/b8-7-,11-10-
InChI Key:
JWHARDIWYCXHAN-NQLNTKRDSA-N
SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(CC(=O)O)C
UNII:
P304863E2T
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
351.277g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.531g/mol
Monoisotopic Mass:
351.277g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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