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1268519-54-5 | 5-Azaspiro[2.4]heptane-5,7-dicarboxylic acid, 5-(1,1-dimethylethyl) ester
CAS No: 1268519-54-5 Catalog No: AG000TCW MDL No:MFCD18633038
Product Description
Catalog Number:
AG000TCW
Chemical Name:
5-Azaspiro[2.4]heptane-5,7-dicarboxylic acid, 5-(1,1-dimethylethyl) ester
CAS Number:
1268519-54-5
Molecular Formula:
C12H18NO4-
Molecular Weight:
240.2756
MDL Number:
MFCD18633038
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid
InChI:
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8(9(14)15)12(7-13)4-5-12/h8H,4-7H2,1-3H3,(H,14,15)
InChI Key:
XDFSKDGVRVJWGF-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CN(CC21CC2)C(=O)OC(C)(C)C
Properties
Complexity:
354
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:
1
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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