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1381947-94-9 | 1-Azetidinecarboxylic acid, 3-(3-iodopropyl)-, phenylmethyl ester
CAS No: 1381947-94-9 Catalog No: AG001880 MDL No:MFCD18206287
Product Description
Catalog Number:
AG001880
Chemical Name:
1-Azetidinecarboxylic acid, 3-(3-iodopropyl)-, phenylmethyl ester
CAS Number:
1381947-94-9
Molecular Formula:
C14H18INO2
Molecular Weight:
359.2027
MDL Number:
MFCD18206287
IUPAC Name:
benzyl 3-(3-iodopropyl)azetidine-1-carboxylate
InChI:
InChI=1S/C14H18INO2/c15-8-4-7-13-9-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChI Key:
OGJVOAPBMUCTSH-UHFFFAOYSA-N
SMILES:
ICCCC1CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.207g/mol
Monoisotopic Mass:
359.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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