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16524-47-3 | 1,2,8-Anthracenetriol
CAS No: 16524-47-3 Catalog No: AG001W13 MDL No:
Product Description
Catalog Number:
AG001W13
Chemical Name:
1,2,8-Anthracenetriol
CAS Number:
16524-47-3
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
IUPAC Name:
anthracene-1,2,8-triol
InChI:
InChI=1S/C14H10O3/c15-12-3-1-2-8-6-9-4-5-13(16)14(17)11(9)7-10(8)12/h1-7,15-17H
InChI Key:
LDINTFRHAFMYPY-UHFFFAOYSA-N
SMILES:
Oc1c(O)ccc2c1cc1c(O)cccc1c2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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