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115084-28-1 | 4,5-Pyrenedione, 1-amino-
CAS No: 115084-28-1 Catalog No: AG000FVN MDL No:
Product Description
Catalog Number:
AG000FVN
Chemical Name:
4,5-Pyrenedione, 1-amino-
CAS Number:
115084-28-1
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
1-aminopyrene-4,5-dione
InChI:
InChI=1S/C16H9NO2/c17-12-7-6-11-14-9(12)5-4-8-2-1-3-10(13(8)14)15(18)16(11)19/h1-7H,17H2
InChI Key:
AQEFFYFQOCKMPO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.253g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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