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1228312-14-8 | 1-Pyrrolidinecarboxylic acid, 3-ethenyl-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1228312-14-8 Catalog No: AG000JK1 MDL No:MFCD17926351
Product Description
Catalog Number:
AG000JK1
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-ethenyl-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1228312-14-8
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD17926351
IUPAC Name:
tert-butyl (3R)-3-ethenylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-5-9-6-7-12(8-9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3/t9-/m0/s1
InChI Key:
AIWBHQLFAKSRML-VIFPVBQESA-N
SMILES:
C=C[C@H]1CCN(C1)C(=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:
2.1
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