Ethyl 1-naphthalenecarboxylate
Properties
- Molecular formula
- C13H12O2
- Molar mass
- 200.24 g/mol
- Exact mass
- 200.0837 Da
- Boiling point
- 310 °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
3007-97-4SMILES
CCOC(=O)c1cccc2ccccc12InChIKey
XCTLDQQOHIEUCJ-UHFFFAOYSA-NInChI
InChI=1S/C13H12O2/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1-Naphthalenecarboxylic acid, ethyl ester
- 1-Naphthoic acid, ethyl ester
- Ethyl 1-naphthoate
- Ethyl α-naphthoate
- NSC 409986
Reactions
Work with Ethyl 1-naphthalenecarboxylate
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
Diethyl phthalate84-66-271 % similar
Ethyl o-chlorobenzoate7335-25-364 % similar
Ethyl 2-bromobenzoate6091-64-161 % similar
Ethyl 2-methylbenzoate87-24-161 % similar
Ethyl salicylate118-61-659 % similar
Ethyl 2-iodobenzoate1829-28-359 % similar
Ethyl o-fluorobenzoate443-26-559 % similar
Ethyl 2-ethoxybenzoate6290-24-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds