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161364-85-8 | 1-Pyrrolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, ethyl ester, (R)- (9CI)
CAS No: 161364-85-8 Catalog No: AG001SEJ MDL No:
Product Description
Catalog Number:
AG001SEJ
Chemical Name:
1-Pyrrolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, ethyl ester, (R)- (9CI)
CAS Number:
161364-85-8
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
IUPAC Name:
ethyl 3-[(2R)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-3-oxopropanoate
InChI:
InChI=1S/C17H23NO5/c1-3-22-17(20)11-16(19)18-10-6-7-13(18)12-23-15-9-5-4-8-14(15)21-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m1/s1
InChI Key:
OONSDZRZWIDGCB-CYBMUJFWSA-N
SMILES:
CCOC(=O)CC(=O)N1CCC[C@@H]1COc1ccccc1OC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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