1-Naphthoic acid
Properties
- Molecular formula
- C11H8O2
- Molar mass
- 172.18 g/mol
- Exact mass
- 172.0524 Da
- Melting point
- 161 °C
- Boiling point
- 300 °C
- logP
- 2.54Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.7% of notifiers
Aggregated from 77 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
86-55-5SMILES
O=C(O)c1cccc2ccccc12InChIKey
LNETULKMXZVUST-UHFFFAOYSA-NInChI
InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1-Naphthalenecarboxylic acid
- Naphthalene-α-carboxylic acid
- α-Naphthoic acid
- 1-Carboxynaphthalene
- α-Naphthylcarboxylic acid
- 1-Naphthylcarboxylic acid
- NSC 37569
- 1-Napthanoic acid
- 1-Naphthalenoic acid
Reactions
Work with 1-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
1,4-Naphthalenedicarboxylic acid605-70-969 % similar
Phthalic acid88-99-364 % similar
6-Hydroxy-1-naphthoic acid2437-17-464 % similar
Isoquinoline-5-carboxylic acid27810-64-664 % similar
Isoquinoline-8-carboxylic acid61563-43-764 % similar
1-Naphthylphthalamic acid132-66-163 % similar
Isoquinoline-4-carboxylic acid7159-36-663 % similar
1-Hydroxy-2-naphthoic acid86-48-663 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds