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141581-90-0 | 1-Pyrrolidineacetic acid, 2,4-dioxo-3-[(2-phenylhydrazinyl)methylene]-, ethyl ester
CAS No: 141581-90-0 Catalog No: AG001GN1 MDL No:
Product Description
Catalog Number:
AG001GN1
Chemical Name:
1-Pyrrolidineacetic acid, 2,4-dioxo-3-[(2-phenylhydrazinyl)methylene]-, ethyl ester
CAS Number:
141581-90-0
Molecular Formula:
C15H17N3O4
Molecular Weight:
303.3132
IUPAC Name:
ethyl 2-[3-hydroxy-5-oxo-4-[(phenylhydrazinylidene)methyl]-2H-pyrrol-1-yl]acetate
InChI:
InChI=1S/C15H17N3O4/c1-2-22-14(20)10-18-9-13(19)12(15(18)21)8-16-17-11-6-4-3-5-7-11/h3-8,17,19H,2,9-10H2,1H3
InChI Key:
JTBSGHCTVORIFA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CC(=O)C(=CNNc2ccccc2)C1=O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.318g/mol
Monoisotopic Mass:
303.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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