1-Pyrrolidinecarboxylic acid, 3-iodo-, 1,1-dimethylethyl ester


Chemical Name: 1-Pyrrolidinecarboxylic acid, 3-iodo-, 1,1-dimethylethyl ester
CAS Number: 774234-25-2
Product Number: AG00G7C7(AGN-PC-040XIM)
Synonyms:
MDL No: MFCD12031283
Molecular Formula: C9H16INO2
Molecular Weight: 297.1333

Identification/Properties


Computed Properties
Molecular Weight:
297.136g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
297.023g/mol
Monoisotopic Mass:
297.023g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
200
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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