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1234576-81-8 | 1-Pyrrolidinecarboxylic acid, 3-iodo-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1234576-81-8 Catalog No: AG000KLY MDL No:MFCD17015907
Product Description
Catalog Number:
AG000KLY
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-iodo-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1234576-81-8
Molecular Formula:
C9H16INO2
Molecular Weight:
297.1333
MDL Number:
MFCD17015907
IUPAC Name:
tert-butyl (3S)-3-iodopyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H16INO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
CFTPTQLIAIOWLK-ZETCQYMHSA-N
SMILES:
I[C@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.136g/mol
Monoisotopic Mass:
297.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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