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1245816-29-8 | 2-Oxa-6-azaspiro[3.5]nonane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1245816-29-8 Catalog No: AG000MEZ MDL No:MFCD12545892
Product Description
Catalog Number:
AG000MEZ
Chemical Name:
2-Oxa-6-azaspiro[3.5]nonane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1245816-29-8
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD12545892
IUPAC Name:
tert-butyl 2-oxa-8-azaspiro[3.5]nonane-8-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-5-12(7-13)8-15-9-12/h4-9H2,1-3H3
InChI Key:
NJHHTWIPJPGHQB-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)COC2)OC(C)(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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