chempirical

3,5-Dihydroxy-2-naphthalenecarboxylic acid

C11H8O4CAS 89-35-0204.18 g/mol

Open in Covalent MOL file
OHOOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C11H8O4
Molar mass
204.18 g/mol
Exact mass
204.0423 Da
logP
1.95Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
89-35-0
SMILES
O=C(O)c1cc2cccc(O)c2cc1O
InChIKey
YELLAPKUWRTITI-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)

Weigh it out

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

Names and synonyms

9 names
  • 2-Naphthalenecarboxylic acid, 3,5-dihydroxy-
  • 2-Naphthoic acid, 3,5-dihydroxy-
  • 1,7-Dihydroxy-6-naphthoic acid
  • 2,8-Dihydroxy-3-naphthoic acid
  • 3,5-Dihydroxy-2-carboxynaphthalene
  • 3,5-Dihydroxy-2-naphthoic acid
  • 2,8-Dihydroxynaphthalene-3-carboxylic acid
  • NSC 50694
  • 1,7-Dihydroxy-6-naphthalenecarboxylic acid

Work with 3,5-Dihydroxy-2-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

3-Hydroxy-2-naphthoic acid92-70-670 % similar 2,5-Dihydroxyterephthalic acid610-92-458 % similar 6-Hydroxy-1-naphthoic acid2437-17-454 % similar Salicylic acid69-72-753 % similar 2,3-Dihydroxybenzoic acid303-38-853 % similar 7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid1779-11-951 % similar Pamoic acid130-85-850 % similar 2,6-Dihydroxybenzoic acid303-07-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Dihydroxy-2-naphthoic acid31519-22-9

Elsewhere

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