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13672-04-3 | 2,4-Pyrrolidinedicarboxylic acid, 3-(1-methylethyl)-5-oxo-, 2,4-diethyl ester
CAS No: 13672-04-3 Catalog No: AG00129L MDL No:
Product Description
Catalog Number:
AG00129L
Chemical Name:
2,4-Pyrrolidinedicarboxylic acid, 3-(1-methylethyl)-5-oxo-, 2,4-diethyl ester
CAS Number:
13672-04-3
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
IUPAC Name:
diethyl 5-oxo-3-propan-2-ylpyrrolidine-2,4-dicarboxylate
InChI:
InChI=1S/C13H21NO5/c1-5-18-12(16)9-8(7(3)4)10(14-11(9)15)13(17)19-6-2/h7-10H,5-6H2,1-4H3,(H,14,15)
InChI Key:
ZBEUZDNADGQUJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NC(=O)C(C1C(C)C)C(=O)OCC
NSC Number:
154936
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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