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192717-78-5 | 3-Pyrrolidinecarboxylic acid, 1-butyl-5-oxo-, ethyl ester
CAS No: 192717-78-5 Catalog No: AG002G8V MDL No:
Product Description
Catalog Number:
AG002G8V
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-butyl-5-oxo-, ethyl ester
CAS Number:
192717-78-5
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
ethyl 1-butyl-5-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-3-5-6-12-8-9(7-10(12)13)11(14)15-4-2/h9H,3-8H2,1-2H3
InChI Key:
IGXPBLUJWHXYDH-UHFFFAOYSA-N
SMILES:
CCCCN1CC(CC1=O)C(=O)OCC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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