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Chemical structure of 4-Hydroxybenzoic acid-d4

GC68550

4-Hydroxybenzoic acid-d4

Also known as 2,3,5,6-tetradeuterio-4-hydroxybenzoic acid

4-Hydroxybenzoic acid-d4 is the deuterated form of 4-Hydroxybenzoic acid· 4-Hydroxybenzoic acid is a phenolic derivative of benzoic acid that can inhibit most Gram-positive bacteria and some Gram-negative bacteria, with an IC50 value of 160 μg/mL

ChemicalCAS152404-47-2MW142.15FormulaC7H2D4O3
CAS number
152404-47-2
Molecular weight
142.15
Formula
C7H2D4O3
Solubility
DMSO ： 120 mg/mL (844·18 mM; Need ultrasonic); H2O ： 1·2 mg/mL (8·44 mM; Need ultrasonic)
InChIKey
FJKROLUGYXJWQN-RHQRLBAQSA-N
Catalogue number
GC68550
Brand
GLPBIO
Computed properties PubChem CID 44540358 · XLogP 1.6 · TPSA 57.5 Ų · H-bond donors 2
XLogP
1.6
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

SMILES [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])O)[2H]

Computed descriptors from PubChem (CID 44540358), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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