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1333222-18-6 | Proline, 1-acetyl-5,5-dimethyl-, ethyl ester
CAS No: 1333222-18-6 Catalog No: AG0014N8 MDL No:
Product Description
Catalog Number:
AG0014N8
Chemical Name:
Proline, 1-acetyl-5,5-dimethyl-, ethyl ester
CAS Number:
1333222-18-6
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
ethyl 1-acetyl-5,5-dimethylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-5-15-10(14)9-6-7-11(3,4)12(9)8(2)13/h9H,5-7H2,1-4H3
InChI Key:
BDEXMBDFQJSQJJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CCC(N1C(=O)C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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