chempirical

Phloroglucinol carboxylic acid

C7H6O5CAS 83-30-7170.12 g/mol

Open in Covalent MOL file
OHOHOOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C7H6O5
Molar mass
170.12 g/mol
Exact mass
170.0215 Da
Melting point
160–161 °C
logP
0.50Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
1

Identifiers

CAS number
83-30-7
SMILES
O=C(O)c1c(O)cc(O)cc1O
InChIKey
IBHWREHFNDMRPR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2,4,6-trihydroxy-
  • 2,4,6-Trihydroxybenzoic acid
  • 2,4,6-Trihydroxybenzenecarboxylic acid
  • Phloroglucinolcarboxylic acid
  • Phloroglucinic acid
  • NSC 36720
  • 4,6-Dihydroxysalicylic acid

Work with Phloroglucinol carboxylic 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

2,6-Dihydroxy-4-methylbenzoic acid480-67-164 % similar 2,6-Dihydroxybenzoic acid303-07-159 % similar Olivetolic acid491-72-557 % similar 5-Hydroxyisophthalic acid618-83-756 % similar 2,5-Dihydroxyterephthalic acid610-92-452 % similar Gentisic acid490-79-952 % similar Flopropione2295-58-150 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-550 % similar

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

Same formula

Gallic acid149-91-7 Acrylic acid-maleic anhydride copolymer26677-99-6 2,3,4-Trihydroxybenzoic acid610-02-6

Elsewhere

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