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116237-89-9 | 9,10-Anthracenedione, 1,4-diamino-, hydrate (1:2)
CAS No: 116237-89-9 Catalog No: AG000C0U MDL No:
Product Description
Catalog Number:
AG000C0U
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-, hydrate (1:2)
CAS Number:
116237-89-9
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
1,4-diaminoanthracene-9,10-dione;dihydrate
InChI:
InChI=1S/C14H10N2O2.2H2O/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18;;/h1-6H,15-16H2;2*1H2
InChI Key:
IHLHAEVYUFKUKY-UHFFFAOYSA-N
SMILES:
Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N.O.O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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