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113845-55-9 | Proline, 1-(1-oxooctadecyl)-
CAS No: 113845-55-9 Catalog No: AG0009VT MDL No:
Product Description
Catalog Number:
AG0009VT
Chemical Name:
Proline, 1-(1-oxooctadecyl)-
CAS Number:
113845-55-9
Molecular Formula:
C23H43NO3
Molecular Weight:
381.5924
IUPAC Name:
1-octadecanoylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-20-17-18-21(24)23(26)27/h21H,2-20H2,1H3,(H,26,27)
InChI Key:
IYWTVBWXIUJHNJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.324g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.601g/mol
Monoisotopic Mass:
381.324g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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