chempirical

5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid

C11H12O2CAS 4242-18-6176.21 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
148–150 °C
logP
2.26Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
4242-18-6
SMILES
O=C(O)c1cccc2c1CCCC2
InChIKey
GCFQXKYHWFWGSB-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-
  • 1-Naphthoic acid, 5,6,7,8-tetrahydro-
  • 5,6,7,8-Tetrahydro-1-naphthoic acid
  • NSC 44874
  • 5,6,7,8-Tetrahydronaphthalen-1-carboxylic acid

Work with 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic 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

9H-Fluorene-1-carboxylic acid6276-03-557 % similar 2-(2-Phenylethyl)benzoic acid4890-85-153 % similar Hemimellitic acid569-51-750 % similar Phthalic acid88-99-350 % similar 6-Pentadecylsalicylic acid16611-84-045 % similar Ginkgoneolic acid20261-38-545 % similar Ammonium phthalate523-24-045 % similar 2-(Phenoxymethyl)benzoic acid724-98-145 % 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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