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89717-55-5 | Pentanoic acid, 4,5-bis(benzoylamino)-
CAS No: 89717-55-5 Catalog No: AG0042KW MDL No:
Product Description
Catalog Number:
AG0042KW
Chemical Name:
Pentanoic acid, 4,5-bis(benzoylamino)-
CAS Number:
89717-55-5
Molecular Formula:
C19H20N2O4
Molecular Weight:
340.3731
IUPAC Name:
4,5-dibenzamidopentanoic acid
InChI:
InChI=1S/C19H20N2O4/c22-17(23)12-11-16(21-19(25)15-9-5-2-6-10-15)13-20-18(24)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)
InChI Key:
YFNIERVXGGNEKO-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(NC(=O)c1ccccc1)CNC(=O)c1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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