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2351-94-2 | 2,2,4-Pyrrolidinetricarboxylic acid, 3-butyl-5-oxo-, 2,2,4-triethyl ester
CAS No: 2351-94-2 Catalog No: AG002NHI MDL No:
Product Description
Catalog Number:
AG002NHI
Chemical Name:
2,2,4-Pyrrolidinetricarboxylic acid, 3-butyl-5-oxo-, 2,2,4-triethyl ester
CAS Number:
2351-94-2
Molecular Formula:
C17H27NO7
Molecular Weight:
357.3988
IUPAC Name:
triethyl 3-butyl-5-oxopyrrolidine-2,2,4-tricarboxylate
InChI:
InChI=1S/C17H27NO7/c1-5-9-10-11-12(14(20)23-6-2)13(19)18-17(11,15(21)24-7-3)16(22)25-8-4/h11-12H,5-10H2,1-4H3,(H,18,19)
InChI Key:
KBGXJFCLAXHIMH-UHFFFAOYSA-N
SMILES:
CCCCC1C(C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC
NSC Number:
83650
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.403g/mol
Monoisotopic Mass:
357.179g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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