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1450828-51-9 | 1-Pyrrolidinecarboxylic acid, 2-methyl-3,5-dioxo-, 1,1-dimethylethyl ester
CAS No: 1450828-51-9 Catalog No: AG001KJA MDL No:MFCD24533324
Product Description
Catalog Number:
AG001KJA
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-methyl-3,5-dioxo-, 1,1-dimethylethyl ester
CAS Number:
1450828-51-9
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
MDL Number:
MFCD24533324
IUPAC Name:
tert-butyl 2-methyl-3,5-dioxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h6H,5H2,1-4H3
InChI Key:
XLXSMICXDWTYCA-UHFFFAOYSA-N
SMILES:
CC1C(=O)CC(=O)N1C(=O)OC(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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