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146605-64-3 | 1,2-Pyrazolidinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester
CAS No: 146605-64-3 Catalog No: AG001E73 MDL No:MFCD16620914
Product Description
Catalog Number:
AG001E73
Chemical Name:
1,2-Pyrazolidinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester
CAS Number:
146605-64-3
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
MDL Number:
MFCD16620914
IUPAC Name:
ditert-butyl pyrazolidine-1,2-dicarboxylate
InChI:
InChI=1S/C13H24N2O4/c1-12(2,3)18-10(16)14-8-7-9-15(14)11(17)19-13(4,5)6/h7-9H2,1-6H3
InChI Key:
VTJVHTYTEYACIY-UHFFFAOYSA-N
SMILES:
O=C(N1CCCN1C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.345g/mol
Monoisotopic Mass:
272.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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