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1268520-72-4 | 5-Azaspiro[2.4]heptane-5,7-dicarboxylic acid, 5-(1,1-dimethylethyl) 7-ethyl ester
CAS No: 1268520-72-4 Catalog No: AG000TCN MDL No:
Product Description
Catalog Number:
AG000TCN
Chemical Name:
5-Azaspiro[2.4]heptane-5,7-dicarboxylic acid, 5-(1,1-dimethylethyl) 7-ethyl ester
CAS Number:
1268520-72-4
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
IUPAC Name:
5-O-tert-butyl 7-O-ethyl 5-azaspiro[2.4]heptane-5,7-dicarboxylate
InChI:
InChI=1S/C14H23NO4/c1-5-18-11(16)10-8-15(9-14(10)6-7-14)12(17)19-13(2,3)4/h10H,5-9H2,1-4H3
InChI Key:
DIJIJACGUYWBJN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(CC21CC2)C(=O)OC(C)(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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