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84636-53-3 | Propanedioic acid, (phenylimino)-, diethyl ester
CAS No: 84636-53-3 Catalog No: AG004TRG MDL No:
Product Description
Catalog Number:
AG004TRG
Chemical Name:
Propanedioic acid, (phenylimino)-, diethyl ester
CAS Number:
84636-53-3
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
diethyl 2-phenyliminopropanedioate
InChI:
InChI=1S/C13H15NO4/c1-3-17-12(15)11(13(16)18-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChI Key:
PCYOWOYOAGQPOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Nc1ccccc1)C(=O)OCC
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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