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1174020-49-5 | 1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
CAS No: 1174020-49-5 Catalog No: AG000E8B MDL No:MFCD23106143
Product Description
Catalog Number:
AG000E8B
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
CAS Number:
1174020-49-5
Molecular Formula:
C9H16FNO3
Molecular Weight:
205.2266
MDL Number:
MFCD23106143
IUPAC Name:
tert-butyl (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7+/m1/s1
InChI Key:
KTBDFQPHEPDHQW-RQJHMYQMSA-N
SMILES:
F[C@@H]1CN(C[C@@H]1O)C(=O)OC(C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.229g/mol
Monoisotopic Mass:
205.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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