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125379-87-5 | Pentanoic acid, 5-[[4-(benzoyloxy)phenyl]amino]-5-oxo-
CAS No: 125379-87-5 Catalog No: AG000NL9 MDL No:
Product Description
Catalog Number:
AG000NL9
Chemical Name:
Pentanoic acid, 5-[[4-(benzoyloxy)phenyl]amino]-5-oxo-
CAS Number:
125379-87-5
Molecular Formula:
C18H17NO5
Molecular Weight:
327.3313
IUPAC Name:
5-(4-benzoyloxyanilino)-5-oxopentanoic acid
InChI:
InChI=1S/C18H17NO5/c20-16(7-4-8-17(21)22)19-14-9-11-15(12-10-14)24-18(23)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,19,20)(H,21,22)
InChI Key:
JXHYYZVGAXANAV-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)OC(=O)c1ccccc1)CCCC(=O)O
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.336g/mol
Monoisotopic Mass:
327.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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