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1419101-44-2 | 1-Pyrrolidinecarboxylic acid, 3-(fluoromethyl)-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1419101-44-2 Catalog No: AG001HDK MDL No:MFCD23106439
Product Description
Catalog Number:
AG001HDK
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(fluoromethyl)-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1419101-44-2
Molecular Formula:
C10H18FNO3
Molecular Weight:
219.2532
MDL Number:
MFCD23106439
IUPAC Name:
tert-butyl 3-(fluoromethyl)-3-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18FNO3/c1-9(2,3)15-8(13)12-5-4-10(14,6-11)7-12/h14H,4-7H2,1-3H3
InChI Key:
KGQUVLLKVOOYQB-UHFFFAOYSA-N
SMILES:
FCC1(O)CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.256g/mol
Monoisotopic Mass:
219.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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