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125347-83-3 | 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl ester
CAS No: 125347-83-3 Catalog No: AG000NIV MDL No:MFCD06656725
Product Description
Catalog Number:
AG000NIV
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl ester
CAS Number:
125347-83-3
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD06656725
IUPAC Name:
1-O-tert-butyl 2-O-ethyl pyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C12H21NO4/c1-5-16-10(14)9-7-6-8-13(9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
IBCLKOLOJLBQDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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