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1374659-11-6 | 1-Azaspiro[3.3]heptane-1,6-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS No: 1374659-11-6 Catalog No: AG0013BG MDL No:MFCD23105940
Product Description
Catalog Number:
AG0013BG
Chemical Name:
1-Azaspiro[3.3]heptane-1,6-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS Number:
1374659-11-6
Molecular Formula:
C12H18NO4-
Molecular Weight:
240.2756
MDL Number:
MFCD23105940
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.3]heptane-6-carboxylic acid
InChI:
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(13)6-8(7-12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChI Key:
PLTMDLGZYGFWOV-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CC2(C1)CCN2C(=O)OC(C)(C)C
Properties
Complexity:
352
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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