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102626-25-5 | Acetamide, N-[4-(acetyloxy)-5,8-dihydro-5,8-dioxo-1-naphthalenyl]-
CAS No: 102626-25-5 Catalog No: AG0007ZH MDL No:
Product Description
Catalog Number:
AG0007ZH
Chemical Name:
Acetamide, N-[4-(acetyloxy)-5,8-dihydro-5,8-dioxo-1-naphthalenyl]-
CAS Number:
102626-25-5
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
IUPAC Name:
(4-acetamido-5,8-dioxonaphthalen-1-yl) acetate
InChI:
InChI=1S/C14H11NO5/c1-7(16)15-9-3-6-12(20-8(2)17)14-11(19)5-4-10(18)13(9)14/h3-6H,1-2H3,(H,15,16)
InChI Key:
HMUQBRQISGTFMT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c2c1C(=O)C=CC2=O)OC(=O)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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