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122684-33-7 | 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 122684-33-7 Catalog No: AG0017NB MDL No:MFCD04038683
Product Description
Catalog Number:
AG0017NB
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
122684-33-7
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD04038683
IUPAC Name:
1-O-tert-butyl 3-O-methyl pyrrolidine-1,3-dicarboxylate
InChI:
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3
InChI Key:
LIWFYAVKYUQMRE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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