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1160246-89-8 | 1-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 3-oxo-, 1,1-diMethylethyl ester
CAS No: 1160246-89-8 Catalog No: AG000BED MDL No:MFCD12198527
Product Description
Catalog Number:
AG000BED
Chemical Name:
1-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 3-oxo-, 1,1-diMethylethyl ester
CAS Number:
1160246-89-8
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD12198527
IUPAC Name:
tert-butyl 3-oxo-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-5-13(9-14)7-10(15)8-17-13/h4-9H2,1-3H3
InChI Key:
FYSJPKBXFXYASC-UHFFFAOYSA-N
SMILES:
O=C1COC2(C1)CCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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