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132945-78-9 | 1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-
CAS No: 132945-78-9 Catalog No: AG0011F4 MDL No:MFCD03419277
Product Description
Catalog Number:
AG0011F4
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
132945-78-9
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD03419277
IUPAC Name:
tert-butyl (3S)-3-cyanopyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1
InChI Key:
VDDMCMFPUSCJNA-MRVPVSSYSA-N
SMILES:
N#C[C@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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