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115374-35-1 | 1,4,9-Anthracenetriol
CAS No: 115374-35-1 Catalog No: AG000GO3 MDL No:
Product Description
Catalog Number:
AG000GO3
Chemical Name:
1,4,9-Anthracenetriol
CAS Number:
115374-35-1
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
IUPAC Name:
anthracene-1,4,9-triol
InChI:
InChI=1S/C14H10O3/c15-11-5-6-12(16)13-10(11)7-8-3-1-2-4-9(8)14(13)17/h1-7,15-17H
InChI Key:
YQRUUHKQJNQERQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1cc1ccccc1c2O)O
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:
3.9
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