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1246650-71-4 | 1-Pyrrolidinecarboxylic acid, 3-acetyl-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1246650-71-4 Catalog No: AG000MKP MDL No:MFCD12756142
Product Description
Catalog Number:
AG000MKP
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-acetyl-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1246650-71-4
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD12756142
IUPAC Name:
tert-butyl 3-acetyl-3-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19NO4/c1-8(13)11(15)5-6-12(7-11)9(14)16-10(2,3)4/h15H,5-7H2,1-4H3
InChI Key:
GTDHJYGFERADIU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)(O)C(=O)C)OC(C)(C)C
Properties
Complexity:
308
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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