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1408074-81-6 | 2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester
CAS No: 1408074-81-6 Catalog No: AG001CT0 MDL No:MFCD23106118
Product Description
Catalog Number:
AG001CT0
Chemical Name:
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester
CAS Number:
1408074-81-6
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD23106118
IUPAC Name:
2-O-tert-butyl 6-O-methyl 2-azaspiro[3.3]heptane-2,6-dicarboxylate
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-7-13(8-14)5-9(6-13)10(15)17-4/h9H,5-8H2,1-4H3
InChI Key:
FZDJDEXABKVIDA-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2(C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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