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2351-93-1 | 2,2,4-Pyrrolidinetricarboxylic acid, 3-(1-methylethyl)-5-oxo-, 2,2,4-triethyl ester
CAS No: 2351-93-1 Catalog No: AG002NHJ MDL No:
Product Description
Catalog Number:
AG002NHJ
Chemical Name:
2,2,4-Pyrrolidinetricarboxylic acid, 3-(1-methylethyl)-5-oxo-, 2,2,4-triethyl ester
CAS Number:
2351-93-1
Molecular Formula:
C16H25NO7
Molecular Weight:
343.3722
IUPAC Name:
triethyl 5-oxo-3-propan-2-ylpyrrolidine-2,2,4-tricarboxylate
InChI:
InChI=1S/C16H25NO7/c1-6-22-13(19)10-11(9(4)5)16(17-12(10)18,14(20)23-7-2)15(21)24-8-3/h9-11H,6-8H2,1-5H3,(H,17,18)
InChI Key:
JRUGUUZJABAAII-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)NC(C1C(C)C)(C(=O)OCC)C(=O)OCC
NSC Number:
83649
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.376g/mol
Monoisotopic Mass:
343.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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