4-Hydroxyisophthalic Acid

CAT: 0572-TRC-H943580-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-H943580-1GSize:1 g

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CAS Number

636-46-4

Synonyms

Acetylsalicylic Acid Imp. B (EP); Salicylic Acid Imp. B (EP); Salicylic Acid USP Related Compound B; Salicylic Acid USP RC B; 4-Hydroxybenzene-1,3-dicarboxylic Acid; 4-Hydroxyisophthalic Acid; 1,3-Benzenedicarboxylic acid, 4-hydroxy-; Isophthalic acid, 4-hydroxy- (6CI,7CI,8CI); 4-Hydroxy-1,3-benzenedicarboxylic acid; 4-Hydroxy-m-phthalic acid; Eupirina; NSC 2445; Ph Eur Salicylic Acid Impurity B; USP Salicylic Acid Related Compound B; Salicylic Acid Related Compound B; Acetylsalicylic Acid Impurity B; Salicylic Acid Impurity B

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

OC(=O)c1ccc(O)c(c1)C(=O)O

Molecular Formula

C8 H6 O5

Molecular Weight

182.13

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)

Additionnal Information

IUPAC name: 4-hydroxybenzene-1,3-dicarboxylic acid

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4-Hydroxyisophthalic acid

4-Hydroxyisophthalic acid is a 2-hydroxyisophthalic acid.

CAS Number	636-46-4
PubChem CID	12490
IUPAC Name	4-hydroxybenzene-1,3-dicarboxylic acid
Molecular Formula	C8H6O5
Molecular Weight	182.13
XLogP	1.5
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	225

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)

InChIKey

BCEQKAQCUWUNML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 636-46-4

CID: 12490

Formula: C8H6O5

MW: 182.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	182.13
XLogP3	1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	182.02152329
Monoisotopic Mass	182.02152329
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS3605410-01	4-Hydroxyisophthalic acid
FH00559	5-Hydroxyisophthalic acid
OR53073	2-Hydroxyisophthalic acid
AR-A02680-01	4-amino-6-hydroxyisophthalic acid
OR1011568-01	4-Hydroxyisophthalic Acid Dimethyl Ester

4-Hydroxyisophthalic Acid

Chemical Information

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