chempirical

9-Anthracenecarboxylic acid

C15H10O2CAS 723-62-6222.24 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C15H10O2
Molar mass
222.24 g/mol
Exact mass
222.0681 Da
Melting point
217 °C (decomposes)
logP
3.69Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
723-62-6
SMILES
O=C(O)c1c2ccccc2cc2ccccc12
InChIKey
XGWFJBFNAQHLEF-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)

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Names and synonyms

4 names
  • 9-Anthroic acid
  • 9-Carboxyanthracene
  • 9-Anthracenylcarboxylic acid
  • NSC 151909

Work with 9-Anthracenecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-1-naphthoic acid2283-08-163 % similar Acridine-9-carboxylic acid5336-90-358 % similar 2,3-Naphthalenedicarboxylic acid2169-87-155 % similar Anthracene-9-carbonyl chloride16331-52-555 % similar 9-Acetylanthracene784-04-355 % similar 1-Naphthoic acid86-55-555 % similar 9-Acridinecarboxylic acid hydrate332927-03-453 % similar 1,4-Naphthalenedicarboxylic acid605-70-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Flavone525-82-6 Isoflavone574-12-9 Benzylidenephthalide575-61-1 2-Anthracenecarboxylic acid613-08-1 Phenindione83-12-5 2-Methylanthraquinone84-54-8

Elsewhere

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