chempirical

2-Naphthoic acid

C11H8O2CAS 93-09-4172.18 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C11H8O2
Molar mass
172.18 g/mol
Exact mass
172.0524 Da
Density
0.96 g/mL
Melting point
185.5 °C
Boiling point
above 300 °C
pKa
4.18
Flash point
205 °C
logP
2.54Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
93-09-4
SMILES
O=C(O)c1ccc2ccccc2c1
InChIKey
UOBYKYZJUGYBDK-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

Weigh it out

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

Names and synonyms

8 names
  • 2-Naphthalenecarboxylic acid
  • Isonaphthoic acid
  • 2-Maythic acid
  • β-Naphthalenecarboxylic acid
  • β-Naphthoic acid
  • 2-Carboxynaphthalene
  • 2-Naphthylcarboxylic acid
  • NSC 59901

Reactions

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Anthracenecarboxylic acid613-08-188 % similar 2,6-Naphthalenedicarboxylic acid1141-38-483 % similar 6-Hydroxy-2-naphthoic acid16712-64-467 % similar 6-Amino-2-naphthoic acid116668-47-465 % similar 6-Fluoro-2-naphthoic acid5043-01-665 % similar 6-Bromo-2-naphthalenecarboxylic acid5773-80-865 % similar 2,3-Naphthalenedicarboxylic acid2169-87-161 % similar 6-Isoquinolinecarboxylic acid106778-43-261 % similar

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

Same formula

5-Phenyl-2-furaldehyde13803-39-9 Menadione58-27-5 2-Hydroxy-1-naphthaldehyde708-06-5 4-Hydroxy-1-naphthaldehyde7770-45-8 6-Hydroxy-2-naphthaldehyde78119-82-1 1-Naphthoic acid86-55-5

Elsewhere

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