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25186-68-9 | 1-Anthracenecarboxylic acid, 9,10-dihydro-4-hydroxy-9,10-dioxo-
CAS No: 25186-68-9 Catalog No: AG002QT6 MDL No:
Product Description
Catalog Number:
AG002QT6
Chemical Name:
1-Anthracenecarboxylic acid, 9,10-dihydro-4-hydroxy-9,10-dioxo-
CAS Number:
25186-68-9
Molecular Formula:
C15H8O5
Molecular Weight:
268.2210
IUPAC Name:
4-hydroxy-9,10-dioxoanthracene-1-carboxylic acid
InChI:
InChI=1S/C15H8O5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H,(H,19,20)
InChI Key:
CFUNXFDHBLAUMM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)O
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.037g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.224g/mol
Monoisotopic Mass:
268.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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