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20241-77-4 | 9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-(phenylamino)-
CAS No: 20241-77-4 Catalog No: AG00288H MDL No:
Product Description
Catalog Number:
AG00288H
Chemical Name:
9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-(phenylamino)-
CAS Number:
20241-77-4
Molecular Formula:
C20H14N2O4
Molecular Weight:
346.3362
IUPAC Name:
1-amino-8-anilino-4,5-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)16-12(22-10-4-2-1-3-5-10)7-9-14(24)18(16)20(17)26/h1-9,22-24H,21H2
InChI Key:
PPGISMVFVBBTGY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1C(=O)c1c(C2=O)c(N)ccc1O)Nc1ccccc1
EC Number:
243-634-5
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.342g/mol
Monoisotopic Mass:
346.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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