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91598-93-5

91598-93-5 | Acetamide, N-(6,8-dihydroxy-1-pyrenyl)-

CAS No: 91598-93-5 Catalog No: AG006FVS MDL No:

Product Description

Catalog Number:
AG006FVS
Chemical Name:
Acetamide, N-(6,8-dihydroxy-1-pyrenyl)-
CAS Number:
91598-93-5
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
N-(6,8-dihydroxypyren-1-yl)acetamide
InChI:
InChI=1S/C18H13NO3/c1-9(20)19-14-7-3-10-2-4-12-15(21)8-16(22)13-6-5-11(14)17(10)18(12)13/h2-8,21-22H,1H3,(H,19,20)
InChI Key:
MGZVDYWHFSBBRF-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1O)O

Properties

Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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