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158602-36-9 | 1-Azetidinecarboxylic acid, 3-(2-iodoethyl)-, 1,1-dimethylethyl ester
CAS No: 158602-36-9 Catalog No: AG001QCA MDL No:MFCD20126205
Product Description
Catalog Number:
AG001QCA
Chemical Name:
1-Azetidinecarboxylic acid, 3-(2-iodoethyl)-, 1,1-dimethylethyl ester
CAS Number:
158602-36-9
Molecular Formula:
C10H18INO2
Molecular Weight:
311.1599
MDL Number:
MFCD20126205
IUPAC Name:
tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4-7H2,1-3H3
InChI Key:
OGFCVYKPYPPCDL-UHFFFAOYSA-N
SMILES:
ICCC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.163g/mol
Monoisotopic Mass:
311.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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