1,2,3,4-Tetrahydro-1-naphthoic acid

C₁₁H₁₂O₂CAS 1914-65-4176.21 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.21 g/mol
Exact mass: 176.0837 Da
logP: 2.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation71.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1914-65-4

SMILES

C1CC(C2=CC=CC=C2C1)C(=O)O

InChIKey

VDLWTJCSPSUGOA-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)

Weigh it out

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

Work with 1,2,3,4-Tetrahydro-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 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.

(-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-2Defined stereoisomer (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-3Defined stereoisomer

Similar compounds

1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid41034-52-058 % similar Indoline-3-carboxylic acid39891-70-851 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-550 % similar (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol23357-45-150 % similar (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-250 % similar (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-050 % similar 1-Tetralol529-33-950 % similar (S)-(+)-1,2,3,4-Tetrahydro-1-naphthol53732-47-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5

Elsewhere

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