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84560-13-4 | Propanamide,N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-
CAS No: 84560-13-4 Catalog No: AG004UQ7 MDL No:
Product Description
Catalog Number:
AG004UQ7
Chemical Name:
Propanamide,N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-
CAS Number:
84560-13-4
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
IUPAC Name:
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)propanamide
InChI:
InChI=1S/C18H16N2O4/c1-3-13(21)20-11-8-12(24-2)16(19)15-14(11)17(22)9-6-4-5-7-10(9)18(15)23/h4-8H,3,19H2,1-2H3,(H,20,21)
InChI Key:
NLMCPTOHHZNHMB-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1cc(OC)c(c2c1C(=O)c1ccccc1C2=O)N
EC Number:
283-201-8
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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