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208118-23-4 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-propyl-
CAS No: 208118-23-4 Catalog No: AG002JI5 MDL No:MFCD00661184
Product Description
Catalog Number:
AG002JI5
Chemical Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-propyl-
CAS Number:
208118-23-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD00661184
IUPAC Name:
5-oxo-1-propylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C8H13NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChI Key:
WTCXUEZECUORFV-UHFFFAOYSA-N
SMILES:
CCCN1CC(CC1=O)C(=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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