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1456-63-9 | 2-Anthracenecarboxamide, 1-amino-9,10-dihydro-N-(3-methoxypropyl)-4-nitro-9,10-dioxo-
CAS No: 1456-63-9 Catalog No: AG001D7R MDL No:
Product Description
Catalog Number:
AG001D7R
Chemical Name:
2-Anthracenecarboxamide, 1-amino-9,10-dihydro-N-(3-methoxypropyl)-4-nitro-9,10-dioxo-
CAS Number:
1456-63-9
Molecular Formula:
C19H17N3O6
Molecular Weight:
383.3548
IUPAC Name:
1-amino-N-(3-methoxypropyl)-4-nitro-9,10-dioxoanthracene-2-carboxamide
InChI:
InChI=1S/C19H17N3O6/c1-28-8-4-7-21-19(25)12-9-13(22(26)27)14-15(16(12)20)18(24)11-6-3-2-5-10(11)17(14)23/h2-3,5-6,9H,4,7-8,20H2,1H3,(H,21,25)
InChI Key:
JEIYUIDTNDWRJV-UHFFFAOYSA-N
SMILES:
COCCCNC(=O)c1cc([N+](=O)[O-])c2c(c1N)C(=O)c1c(C2=O)cccc1
EC Number:
215-939-3
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.112g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.36g/mol
Monoisotopic Mass:
383.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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