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128-84-7 | 9,10-Anthracenedione, 1,4-diamino-2,3-dihydroxy-
CAS No: 128-84-7 Catalog No: AG000XOE MDL No:
Product Description
Catalog Number:
AG000XOE
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-2,3-dihydroxy-
CAS Number:
128-84-7
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
IUPAC Name:
1,4-diamino-2,3-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H10N2O4/c15-9-7-8(10(16)14(20)13(9)19)12(18)6-4-2-1-3-5(6)11(7)17/h1-4,19-20H,15-16H2
InChI Key:
OFIYINUGSZSGAW-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(N)c(c(c2N)O)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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