Ethyl 2-naphthoate
Properties
- Molecular formula
- C13H12O2
- Molar mass
- 200.24 g/mol
- Exact mass
- 200.0837 Da
- Melting point
- 32 °C
- Boiling point
- 308.5 °C
- logP
- 3.02Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
3007-91-8SMILES
CCOC(=O)c1ccc2ccccc2c1InChIKey
HQKSINSCHCDMLS-UHFFFAOYSA-NInChI
InChI=1S/C13H12O2/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-Naphthalenecarboxylic acid, ethyl ester
- 2-Naphthoic acid, ethyl ester
- Ethyl β-naphthoate
- Ethyl 2-naphthalenecarboxylate
- NSC 171216
Work with Ethyl 2-naphthoate
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
1,3-Diethyl 1,3-benzenedicarboxylate636-53-367 % similar
Diethyl terephthalate636-09-965 % similar
Ethyl benzoate93-89-064 % similar
Methyl 2-naphthoate2459-25-863 % similar
Ethyl indole-5-carboxylate32996-16-060 % similar
Ethyl2-methylquinoline-6-carboxylate855763-77-860 % similar
Ethyl protocatechuate3943-89-359 % similar
Triethyl 1,3,5-benzenetricarboxylate4105-92-459 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.