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131077-58-2 | 2-Propenamide, N-(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS No: 131077-58-2 Catalog No: AG000VHZ MDL No:
Product Description
Catalog Number:
AG000VHZ
Chemical Name:
2-Propenamide, N-(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS Number:
131077-58-2
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
IUPAC Name:
N-(4-amino-9,10-dioxoanthracen-1-yl)prop-2-enamide
InChI:
InChI=1S/C17H12N2O3/c1-2-13(20)19-12-8-7-11(18)14-15(12)17(22)10-6-4-3-5-9(10)16(14)21/h2-8H,1,18H2,(H,19,20)
InChI Key:
WRNLGWJAPPKSBG-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.294g/mol
Monoisotopic Mass:
292.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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