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203866-16-4 | 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
CAS No: 203866-16-4 Catalog No: AG00295O MDL No:MFCD23099301
Product Description
Catalog Number:
AG00295O
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
CAS Number:
203866-16-4
Molecular Formula:
C11H18FNO4
Molecular Weight:
247.2633
MDL Number:
MFCD23099301
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChI Key:
METPQQHVRNLTRX-YUMQZZPRSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)F
EC Number:
610-364-8
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.266g/mol
Monoisotopic Mass:
247.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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