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146256-99-7 | 1,3-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 146256-99-7 Catalog No: AG001DTB MDL No:MFCD24466305
Product Description
Catalog Number:
AG001DTB
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
146256-99-7
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
MDL Number:
MFCD24466305
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate
InChI:
InChI=1S/C12H21NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChI Key:
JHBUFXKTKCCCKA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(CC1O)C(=O)OC(C)(C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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