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29706-46-5 | 9,10-Anthracenedione, 2,5-diamino-1,8-dihydroxy-
CAS No: 29706-46-5 Catalog No: AG002Z63 MDL No:
Product Description
Catalog Number:
AG002Z63
Chemical Name:
9,10-Anthracenedione, 2,5-diamino-1,8-dihydroxy-
CAS Number:
29706-46-5
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
IUPAC Name:
2,5-diamino-1,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H10N2O4/c15-6-3-4-8(17)11-10(6)12(18)5-1-2-7(16)13(19)9(5)14(11)20/h1-4,17,19H,15-16H2
InChI Key:
KKIZIJGDUTUFQL-UHFFFAOYSA-N
SMILES:
Oc1c(N)ccc2c1C(=O)c1c(C2=O)c(N)ccc1O
EC Number:
249-789-5
Properties
Complexity:
441
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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