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88234-81-5 | 3-Pyrrolidinecarboxylic acid, 4-(2-benzofuranyl)-2-oxo-
CAS No: 88234-81-5 Catalog No: AG004CX9 MDL No:
Product Description
Catalog Number:
AG004CX9
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(2-benzofuranyl)-2-oxo-
CAS Number:
88234-81-5
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
4-(1-benzofuran-2-yl)-2-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO4/c15-12-11(13(16)17)8(6-14-12)10-5-7-3-1-2-4-9(7)18-10/h1-5,8,11H,6H2,(H,14,15)(H,16,17)
InChI Key:
XSPMGTRNNWVXHV-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(=O)NCC1c1cc2c(o1)cccc2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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