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117-77-1 | 9,10-Anthracenedione, 2-amino-3-hydroxy-
CAS No: 117-77-1 Catalog No: AG000DIA MDL No:MFCD00059499
Product Description
Catalog Number:
AG000DIA
Chemical Name:
9,10-Anthracenedione, 2-amino-3-hydroxy-
CAS Number:
117-77-1
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
MDL Number:
MFCD00059499
IUPAC Name:
2-amino-3-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H9NO3/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16H,15H2
InChI Key:
CNWWMJSRHGXXAX-UHFFFAOYSA-N
SMILES:
O=C1c2cc(O)c(cc2C(=O)c2c1cccc2)N
EC Number:
204-206-3
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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