4-Hydroxyisophthalic Acid

CAS

636-46-4

Catalog Number

ACM636464

Category

Other Products

Molecular Weight

182.1

Molecular Formula

C8H6O5

MSDS COA Spec Sheet

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Specification

Synonyms

HYDROXYISOPHTHALIC ACID, 4-;4-HYDROXYISOPHTHALIC ACID;4-HYDROXYBENZENE-1,3-DICARBOXYLIC ACID;4-HYDROXY-1,3-BENZENEDECARBOXYLIC ACID;4-HYDROXY-1,3-BENZENEDICARBOXYLIC ACID;ACETYLSALISYLIC ACID IMP B;4-hipa;4-hydroxy-3-benzenedicarboxylicacid

IUPAC Name

4-hydroxybenzene-1,3-dicarboxylic acid

Canonical SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)O

InChI

InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChI Key

BCEQKAQCUWUNML-UHFFFAOYSA-N

Boiling Point

310 C

Melting Point

>300°C

Appearance

White powder

Hazard Statements

Xi,Xn

Safety Description

26-36/37/39-36-39

Supplemental Hazard Statements

H315-H319-H335-H302-H318

Symbol

GHS07,GHS05

What is the molecular formula of 4-Hydroxyisophthalic acid?

The molecular formula of 4-Hydroxyisophthalic acid is C8H6O5.

What is the molecular weight of 4-Hydroxyisophthalic acid?

The molecular weight of 4-Hydroxyisophthalic acid is 182.13 g/mol.

What are some synonyms for 4-Hydroxyisophthalic acid?

Some synonyms for 4-Hydroxyisophthalic acid are Eupirina and 4-Hydroxybenzene-1,3-dicarboxylic acid.

What is the IUPAC name of 4-Hydroxyisophthalic acid?

The IUPAC name of 4-Hydroxyisophthalic acid is 4-hydroxybenzene-1,3-dicarboxylic acid.

What is the InChIKey of 4-Hydroxyisophthalic acid?

The InChIKey of 4-Hydroxyisophthalic acid is BCEQKAQCUWUNML-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 4-Hydroxyisophthalic acid?

The Canonical SMILES representation of 4-Hydroxyisophthalic acid is C1=CC(=C(C=C1C(=O)O)C(=O)O)O.

What is the CAS number for 4-Hydroxyisophthalic acid?

The CAS number for 4-Hydroxyisophthalic acid is 636-46-4.

What is the XLogP3 value of 4-Hydroxyisophthalic acid?

The XLogP3 value of 4-Hydroxyisophthalic acid is 1.5.

What is the hydrogen bond donor count of 4-Hydroxyisophthalic acid?

The hydrogen bond donor count of 4-Hydroxyisophthalic acid is 3.

Is 4-Hydroxyisophthalic acid a canonicalized compound?

Yes, 4-Hydroxyisophthalic acid is a canonicalized compound.