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188528-95-2 | 1,3-Pyrrolidinedicarboxylic acid, 2-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 188528-95-2 Catalog No: AG002GY0 MDL No:MFCD24466252
Product Description
Catalog Number:
AG002GY0
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 2-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
188528-95-2
Molecular Formula:
C12H19NO5
Molecular Weight:
257.2830
MDL Number:
MFCD24466252
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
InChI:
InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-13(9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3
InChI Key:
OFHTXTVNVCVIBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(C1=O)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:
257.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.286g/mol
Monoisotopic Mass:
257.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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