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Home > Fluorides > 131176-02-8
131176-02-8 | D-Proline, 4-fluoro-, (4S)-
CAS No: 131176-02-8 Catalog No: AG000VNE MDL No:MFCD07366527
Product Description
Catalog Number:
AG000VNE
Chemical Name:
D-Proline, 4-fluoro-, (4S)-
CAS Number:
131176-02-8
Molecular Formula:
C5H8FNO2
Molecular Weight:
133.1209
MDL Number:
MFCD07366527
IUPAC Name:
(2R,4S)-4-fluoropyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
InChI Key:
ZIWHMENIDGOELV-IUYQGCFVSA-N
SMILES:
OC(=O)[C@H]1C[C@@H](CN1)F
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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