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88234-82-6 | 3-Pyrrolidinecarboxylic acid, 4-(2-benzofuranyl)-2-oxo-, ethyl ester
CAS No: 88234-82-6 Catalog No: AG004CX8 MDL No:
Product Description
Catalog Number:
AG004CX8
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(2-benzofuranyl)-2-oxo-, ethyl ester
CAS Number:
88234-82-6
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
ethyl 4-(1-benzofuran-2-yl)-2-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C15H15NO4/c1-2-19-15(18)13-10(8-16-14(13)17)12-7-9-5-3-4-6-11(9)20-12/h3-7,10,13H,2,8H2,1H3,(H,16,17)
InChI Key:
URXRRFYIIUCVSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)NCC1c1cc2c(o1)cccc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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