1,4-Dihydroxy-2-naphthoic acid

C₁₁H₈O₄CAS 31519-22-9204.18 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₁₁H₈O₄
Molar mass: 204.18 g/mol
Exact mass: 204.0423 Da
Melting point: 424 °C
logP: 1.95Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

31519-22-9

SMILES

O=C(O)c1cc(O)c2ccccc2c1O

InChIKey

VOJUXHHACRXLTD-UHFFFAOYSA-N

InChI

InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)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

5 names

2-Naphthalenecarboxylic acid, 1,4-dihydroxy-
2-Naphthoic acid, 1,4-dihydroxy-
1,4-Dihydroxy-2-naphthalenecarboxylic acid
1,4-Dihydroxy-2-naphthoate
1,4-Dihydroxy-2-carboxy naphthoic acid

Work with 1,4-Dihydroxy-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

1-Hydroxy-2-naphthoic acid86-48-658 % similar Phenyl 1,4-dihydroxy-2-naphthalenecarboxylate54978-55-157 % similar Pamoic acid130-85-855 % similar 2,5-Dihydroxyterephthalic acid610-92-455 % similar Salicylic acid69-72-755 % similar 2,3-Dihydroxybenzoic acid303-38-854 % similar 1,4-Naphthalenedicarboxylic acid605-70-953 % similar 3-Hydroxy-2-naphthoic acid92-70-653 % similar

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

Same formula

3,5-Dihydroxy-2-naphthalenecarboxylic acid89-35-0

Elsewhere

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