chempirical

2-Anthracenecarboxylic acid

C15H10O2CAS 613-08-1222.24 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C15H10O2
Molar mass
222.24 g/mol
Exact mass
222.0681 Da
Melting point
270–280 °C
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
613-08-1
SMILES
O=C(O)c1ccc2cc3ccccc3cc2c1
InChIKey
RZRJYURCNBXIST-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)

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Names and synonyms

2 names
  • 2-Anthroic acid
  • NSC 406583

Work with 2-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-Naphthoic acid93-09-488 % similar 2,6-Naphthalenedicarboxylic acid1141-38-480 % similar 6-Hydroxy-2-naphthoic acid16712-64-465 % similar 6-Amino-2-naphthoic acid116668-47-463 % similar 6-Fluoro-2-naphthoic acid5043-01-663 % similar 6-Bromo-2-naphthalenecarboxylic acid5773-80-863 % similar 6-Isoquinolinecarboxylic acid106778-43-259 % similar 2,3-Naphthalenedicarboxylic acid2169-87-159 % similar

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

Same formula

Flavone525-82-6 Isoflavone574-12-9 Benzylidenephthalide575-61-1 9-Anthracenecarboxylic acid723-62-6 Phenindione83-12-5 2-Methylanthraquinone84-54-8

Elsewhere

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