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2351-91-9 | 2,2,4-Pyrrolidinetricarboxylic acid, 3-methyl-5-oxo-, 2,2,4-triethyl ester
CAS No: 2351-91-9 Catalog No: AG002NHL MDL No:
Product Description
Catalog Number:
AG002NHL
Chemical Name:
2,2,4-Pyrrolidinetricarboxylic acid, 3-methyl-5-oxo-, 2,2,4-triethyl ester
CAS Number:
2351-91-9
Molecular Formula:
C14H21NO7
Molecular Weight:
315.3190
IUPAC Name:
triethyl 3-methyl-5-oxopyrrolidine-2,2,4-tricarboxylate
InChI:
InChI=1S/C14H21NO7/c1-5-20-11(17)9-8(4)14(15-10(9)16,12(18)21-6-2)13(19)22-7-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChI Key:
NCPGLLDYONACKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)NC(C1C)(C(=O)OCC)C(=O)OCC
NSC Number:
83646
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.322g/mol
Monoisotopic Mass:
315.132g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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