3,7-Dihydroxy-2-naphthoic acid

C₁₁H₈O₄CAS 83511-07-3204.18 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
logP: 1.95Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

83511-07-3

SMILES

C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)O

InChIKey

QMWOUSYSNFCKAZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)

Weigh it out

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

Work with 3,7-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

7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid1779-11-972 % similar 3-Hydroxy-2-naphthoic acid92-70-670 % similar Gentisic acid490-79-967 % similar 2,4-Dihydroxybenzoic acid89-86-167 % similar 6-Hydroxy-2-naphthoic acid16712-64-460 % similar 2,5-Dihydroxyterephthalic acid610-92-458 % similar 4-Hydroxyphthalic acid610-35-556 % similar 6-Hydroxy-1-naphthoic acid2437-17-454 % similar

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

Same formula

1,4-Dihydroxy-2-naphthoic acid31519-22-9 6-Methylchromone-2-carboxylic acid5006-44-0 3,5-Dihydroxy-2-naphthalenecarboxylic acid89-35-0

Elsewhere

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