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115393-77-6 | 1-Pyrrolidinecarboxylic acid, 2-ethenyl-, 1,1-dimethylethyl ester, (2S)-
CAS No: 115393-77-6 Catalog No: AG000FWY MDL No:
Product Description
Catalog Number:
AG000FWY
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-ethenyl-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
115393-77-6
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
tert-butyl (2S)-2-ethenylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-5-9-7-6-8-12(9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3/t9-/m1/s1
InChI Key:
HYHWHEBWKXKPGG-SECBINFHSA-N
SMILES:
C=C[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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