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17869-07-7 | 9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-hydroxyethoxy)-
CAS No: 17869-07-7 Catalog No: AG00268M MDL No:
Product Description
Catalog Number:
AG00268M
Chemical Name:
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-hydroxyethoxy)-
CAS Number:
17869-07-7
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthracene-9,10-dione
InChI:
InChI=1S/C16H13NO5/c17-14-11(22-6-5-18)7-10(19)12-13(14)16(21)9-4-2-1-3-8(9)15(12)20/h1-4,7,18-19H,5-6,17H2
InChI Key:
YNSMMVQJQULRFZ-UHFFFAOYSA-N
SMILES:
OCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1
EC Number:
241-819-5
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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