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88143-95-7 | 2,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-5-oxo-, diethyl ester
CAS No: 88143-95-7 Catalog No: AG004D8K MDL No:
Product Description
Catalog Number:
AG004D8K
Chemical Name:
2,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-5-oxo-, diethyl ester
CAS Number:
88143-95-7
Molecular Formula:
C12H19NO5
Molecular Weight:
257.2830
IUPAC Name:
diethyl 4,4-dimethyl-5-oxopyrrolidine-2,2-dicarboxylate
InChI:
InChI=1S/C12H19NO5/c1-5-17-9(15)12(10(16)18-6-2)7-11(3,4)8(14)13-12/h5-7H2,1-4H3,(H,13,14)
InChI Key:
SMARVMKAESVNNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(NC(=O)C(C1)(C)C)C(=O)OCC
Properties
Complexity:
357
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:
1
Isotope Atom Count:
0
Molecular Weight:
257.286g/mol
Monoisotopic Mass:
257.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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