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10054-20-3 | 3-Pyrrolidinecarboxylic acid, 1-octadecyl-5-oxo-
CAS No: 10054-20-3 Catalog No: AG0002AP MDL No:
Product Description
Catalog Number:
AG0002AP
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-octadecyl-5-oxo-
CAS Number:
10054-20-3
Molecular Formula:
C23H43NO3
Molecular Weight:
381.5924
IUPAC Name:
1-octadecyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25/h21H,2-20H2,1H3,(H,26,27)
InChI Key:
YNVVGWVZIYAFNV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O
EC Number:
233-181-1
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:
18
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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