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1160247-17-5 | 8-Azaspiro[4.5]decane-2,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester
CAS No: 1160247-17-5 Catalog No: AG000BFA MDL No:MFCD12198557
Product Description
Catalog Number:
AG000BFA
Chemical Name:
8-Azaspiro[4.5]decane-2,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester
CAS Number:
1160247-17-5
Molecular Formula:
C15H24NO4-
Molecular Weight:
282.3554
MDL Number:
MFCD12198557
IUPAC Name:
8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azaspiro[4.5]decane-3-carboxylic acid
InChI:
InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-8-6-15(7-9-16)5-4-11(10-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChI Key:
XOUMCYVKNAETFA-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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