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1788041-39-3 | 1-Pyrrolidinecarboxylic acid, 3-(1-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1788041-39-3 Catalog No: AG0026BH MDL No:MFCD28502468
Product Description
Catalog Number:
AG0026BH
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(1-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1788041-39-3
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
MDL Number:
MFCD28502468
IUPAC Name:
tert-butyl (3S)-3-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H23NO3/c1-11(2,3)16-10(14)13-7-6-9(8-13)12(4,5)15/h9,15H,6-8H2,1-5H3/t9-/m0/s1
InChI Key:
HUMJQOGXKFLZIK-VIFPVBQESA-N
SMILES:
O=C(N1CC[C@@H](C1)C(O)(C)C)OC(C)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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