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1363381-87-6

1363381-87-6 | 2-Azaspiro[4.5]decane-2,8-dicarboxylic acid, 2-(1,1-dimethylethyl) ester

CAS No: 1363381-87-6 Catalog No: AG0011PB MDL No:MFCD22566121

Product Description

Catalog Number:
AG0011PB
Chemical Name:
2-Azaspiro[4.5]decane-2,8-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
CAS Number:
1363381-87-6
Molecular Formula:
C15H24NO4-
Molecular Weight:
282.3554
MDL Number:
MFCD22566121
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid
InChI:
InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-9-8-15(10-16)6-4-11(5-7-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChI Key:
QHSHITNSETWPKW-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCC2(CC1)CCN(C2)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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