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1333222-32-4 | Proline, 5,5-dimethyl-, ethyl ester
CAS No: 1333222-32-4 Catalog No: AG0014MZ MDL No:
Product Description
Catalog Number:
AG0014MZ
Chemical Name:
Proline, 5,5-dimethyl-, ethyl ester
CAS Number:
1333222-32-4
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
ethyl 5,5-dimethylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-4-12-8(11)7-5-6-9(2,3)10-7/h7,10H,4-6H2,1-3H3
InChI Key:
RRKDHIUQWPMHDL-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CCC(N1)(C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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