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1160246-85-4 | 1-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS No: 1160246-85-4 Catalog No: AG000BEF MDL No:MFCD12198523
Product Description
Catalog Number:
AG000BEF
Chemical Name:
1-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1160246-85-4
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD12198523
IUPAC Name:
tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-5-4-12(8-13)6-9(14)7-16-12/h4-8H2,1-3H3
InChI Key:
PBIPOVUIKARFCM-UHFFFAOYSA-N
SMILES:
O=C1COC2(C1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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