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88744-14-3 | Propanedioic acid, [acetyl(4-methylphenyl)amino]-, diethyl ester
CAS No: 88744-14-3 Catalog No: AG004COR MDL No:
Product Description
Catalog Number:
AG004COR
Chemical Name:
Propanedioic acid, [acetyl(4-methylphenyl)amino]-, diethyl ester
CAS Number:
88744-14-3
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
IUPAC Name:
diethyl 2-(N-acetyl-4-methylanilino)propanedioate
InChI:
InChI=1S/C16H21NO5/c1-5-21-15(19)14(16(20)22-6-2)17(12(4)18)13-9-7-11(3)8-10-13/h7-10,14H,5-6H2,1-4H3
InChI Key:
XGQGPEIGFAJKRZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N(c1ccc(cc1)C)C(=O)C)C(=O)OCC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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