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1998-86-3 | 3-Pyrrolidinecarboxylic acid, 1-(2-fluorophenyl)-5-oxo-
CAS No: 1998-86-3 Catalog No: AG002CCK MDL No:MFCD01330894
Product Description
Catalog Number:
AG002CCK
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-(2-fluorophenyl)-5-oxo-
CAS Number:
1998-86-3
Molecular Formula:
C11H10FNO3
Molecular Weight:
223.2004
MDL Number:
MFCD01330894
IUPAC Name:
1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H10FNO3/c12-8-3-1-2-4-9(8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChI Key:
SPNFIZUVZRKIQZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)c1ccccc1F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.203g/mol
Monoisotopic Mass:
223.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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