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10054-22-5 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-tetradecyl-
CAS No: 10054-22-5 Catalog No: AG0002AN MDL No:
Product Description
Catalog Number:
AG0002AN
Chemical Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-tetradecyl-
CAS Number:
10054-22-5
Molecular Formula:
C19H35NO3
Molecular Weight:
325.4861
IUPAC Name:
5-oxo-1-tetradecylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19(22)23)15-18(20)21/h17H,2-16H2,1H3,(H,22,23)
InChI Key:
WCDFDRGOVVEZCN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O
EC Number:
233-183-2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.262g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.493g/mol
Monoisotopic Mass:
325.262g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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