5,6,7,8-Tetrahydro-2-naphthoic acid

C11H12O2CAS 1131-63-1176.21 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C11H12O2
Molar mass
176.21 g/mol
Exact mass
176.0837 Da
Melting point
155.5 °C
logP
2.26Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1131-63-1
SMILES
O=C(O)c1ccc2c(c1)CCCC2
InChIKey
RSWXAGBBPCRION-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-
  • 2-Naphthoic acid, 5,6,7,8-tetrahydro-
  • 5,6,7,8-Tetrahydro-2-naphthalenecarboxylic acid
  • 1,2,3,4-Tetrahydronaphthalene-6-carboxylic acid
  • NSC 131342

Work with 5,6,7,8-Tetrahydro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Acetyltetralin774-55-058 % similar 1-Indanone-6-carboxylic acid60031-08-556 % similar 2,3-Dihydrobenzo(b)furan-5-carboxylic acid76429-73-756 % similar 5-Carboxyoxindole102359-00-254 % similar 1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid4792-29-454 % similar 2,6-Naphthalenedicarboxylic acid1141-38-453 % similar Terephthalic acid100-21-052 % similar Isophthalic acid121-91-550 % 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 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5

Elsewhere

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