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155669-74-2 | 1,4-Naphthalenedione, 2-[(2-aminophenyl)amino]-3-hydroxy-
CAS No: 155669-74-2 Catalog No: AG001O37 MDL No:
Product Description
Catalog Number:
AG001O37
Chemical Name:
1,4-Naphthalenedione, 2-[(2-aminophenyl)amino]-3-hydroxy-
CAS Number:
155669-74-2
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
3-(2-aminoanilino)-4-hydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C16H12N2O3/c17-11-7-3-4-8-12(11)18-13-14(19)9-5-1-2-6-10(9)15(20)16(13)21/h1-8,18-19H,17H2
InChI Key:
LSHLYOQAXZBLOT-UHFFFAOYSA-N
SMILES:
Nc1ccccc1NC1=C(O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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