1-Hydroxy-2-naphthoic acid

C11H8O3CAS 86-48-6188.18 g/mol

Open in Covalent MOL file
OHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C11H8O3
Molar mass
188.18 g/mol
Exact mass
188.0473 Da
Density
1.43 g/mL
Melting point
195 °C
Boiling point
150–160 °C (at 0.1 Torr)
logP
2.24Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 168 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
86-48-6
SMILES
O=C(O)c1ccc2ccccc2c1O
InChIKey
SJJCQDRGABAVBB-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 2-Naphthalenecarboxylic acid, 1-hydroxy-
  • 2-Naphthoic acid, 1-hydroxy-
  • 1-Hydroxy-2-naphthalenecarboxylic acid
  • 1-Naphthol-2-carboxylic acid
  • 2-Carboxy-1-naphthol
  • NSC 3717
  • Xinafoic acid
  • α-Hydroxy-β-naphthoic acid
  • 1-Hydroxy 2-naphthalic acid
  • H 0279

Work with 1-Hydroxy-2-naphthoic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Salmeterol xinafoate94749-08-3Salt

Similar compounds

1-Bromo-2-naphthalenecarboxylic acid20717-79-763 % similar 1-Naphthoic acid86-55-563 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-262 % similar 1,4-Naphthalenedicarboxylic acid605-70-960 % similar 1,4-Dihydroxy-2-naphthoic acid31519-22-958 % similar 2-Hydroxy-1,3-benzenedicarboxylic acid606-19-958 % similar 8-Hydroxyquinoline-7-carboxylic acid19829-79-958 % similar Pamoic acid130-85-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Hydroxy-2-naphthoic acid16712-64-4 2-Hydroxy-1-naphthoic acid2283-08-1 6-Hydroxy-1-naphthoic acid2437-17-4 3-Acetylcoumarin3949-36-8 3-Formyl-6-methylchromone42059-81-4 Plumbagin481-42-5 5-Phenylfuran-2-carboxylic acid52938-97-3 3-Hydroxy-2-naphthoic acid92-70-6

Elsewhere

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