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1228634-93-2 | 3-Pyrrolidinecarboxylic acid, 3-fluoro-
CAS No: 1228634-93-2 Catalog No: AG000JMP MDL No:MFCD19227872
Product Description
Catalog Number:
AG000JMP
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-fluoro-
CAS Number:
1228634-93-2
Molecular Formula:
C5H8FNO2
Molecular Weight:
133.1209
MDL Number:
MFCD19227872
IUPAC Name:
3-fluoropyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C5H8FNO2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3H2,(H,8,9)
InChI Key:
IETFKCHBHKSILW-UHFFFAOYSA-N
SMILES:
OC(=O)C1(F)CNCC1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
133.122g/mol
Monoisotopic Mass:
133.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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