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1250998-93-6 | 2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-(iodomethyl)-, 1,1-dimethylethyl ester
CAS No: 1250998-93-6 Catalog No: AG000N4U MDL No:MFCD15530221
Product Description
Catalog Number:
AG000N4U
Chemical Name:
2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-(iodomethyl)-, 1,1-dimethylethyl ester
CAS Number:
1250998-93-6
Molecular Formula:
C14H24INO3
Molecular Weight:
381.2497
MDL Number:
MFCD15530221
IUPAC Name:
tert-butyl 3-(iodomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C14H24INO3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(9-15)18-10-14/h11H,4-10H2,1-3H3
InChI Key:
USSPBBSWVQVHKR-UHFFFAOYSA-N
SMILES:
ICC1OCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.254g/mol
Monoisotopic Mass:
381.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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