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101881-19-0 | 3-Pyrrolidinecarboxylic acid, 1-dodecyl-5-oxo-, methyl ester
CAS No: 101881-19-0 Catalog No: AG0005TW MDL No:
Product Description
Catalog Number:
AG0005TW
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-dodecyl-5-oxo-, methyl ester
CAS Number:
101881-19-0
Molecular Formula:
C18H33NO3
Molecular Weight:
311.4595
IUPAC Name:
methyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C18H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-19-15-16(14-17(19)20)18(21)22-2/h16H,3-15H2,1-2H3
InChI Key:
HTLJJHYQRUBBSY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CC(CC1=O)C(=O)OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.466g/mol
Monoisotopic Mass:
311.246g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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