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116167-27-2 | 3-Pyrrolidinecarboxylic acid, 1-hexyl-5-oxo-
CAS No: 116167-27-2 Catalog No: AG000BS3 MDL No:MFCD01688138
Product Description
Catalog Number:
AG000BS3
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-hexyl-5-oxo-
CAS Number:
116167-27-2
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD01688138
IUPAC Name:
1-hexyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H19NO3/c1-2-3-4-5-6-12-8-9(11(14)15)7-10(12)13/h9H,2-8H2,1H3,(H,14,15)
InChI Key:
VHKDTUOUWLJSJT-UHFFFAOYSA-N
SMILES:
CCCCCCN1CC(CC1=O)C(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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