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1374673-89-8 | 1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1374673-89-8 Catalog No: AG0013B7 MDL No:MFCD24856418
Product Description
Catalog Number:
AG0013B7
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1374673-89-8
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD24856418
IUPAC Name:
tert-butyl (3S)-3-acetylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1
InChI Key:
WTNNGFYIEBJFPX-VIFPVBQESA-N
SMILES:
CC(=O)[C@H]1CCN(C1)C(=O)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:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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