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89414-82-4 | 3-Pyrrolidinecarboxylic acid, 2,5-dioxo-4-phenyl-, ethyl ester, trans-
CAS No: 89414-82-4 Catalog No: AG0044TL MDL No:
Product Description
Catalog Number:
AG0044TL
Chemical Name:
3-Pyrrolidinecarboxylic acid, 2,5-dioxo-4-phenyl-, ethyl ester, trans-
CAS Number:
89414-82-4
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
ethyl 2,5-dioxo-4-phenylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C13H13NO4/c1-2-18-13(17)10-9(11(15)14-12(10)16)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,14,15,16)
InChI Key:
KHYKCTZXJPNQCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1C(=O)NC(=O)[C@H]1c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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