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Pamoic Acid

CAT: 0572-TRC-P173500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P173500-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130-85-8
Synonyms
4,4'-Methylenebis[3-hydroxy-2-naphthalenecarboxylic acid]; 2-Naphthoic acid, 4,4'-methylenebis[3-hydroxy- (6CI,7CI,8CI); 4,4'-Methylenebis[3-hydroxy-2-naphthalenecarboxylic acid]; 2,2'-Dihydroxy-1,1'-dinaphthylmethane-3,3'-dicarboxylic acid; 4,4'-Methylenebis(3-hydroxy-2-naphthalenecarboxylic acid); 4,4'-Methylenebis[3-hydroxy-2-naphthoic acid]; 4-[(3-Carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; Bis(2-hydroxy-3-carboxy-1-naphthyl)methane; Embonic acid; KG 122; NSC 30188; NSC 40132; Pamoic Acid
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O
Molecular Formula
C23 H16 O6
Molecular Weight
388.37
InChI
InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
Additionnal Information
IUPAC name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pamoic Acid

Pamoic acid is a dicarboxylic acid. It is functionally related to a 2-naphthoic acid. It is a conjugate acid of a pamoate(2-).

CAS Number130-85-8
PubChem CID8546
IUPAC Name4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
Molecular FormulaC23H16O6
Molecular Weight388.4
XLogP5.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity568
SMILES
C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
InChI
InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
InChIKey
WLJNZVDCPSBLRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pamoic Acid
CAS: 130-85-8
CID: 8546
Formula: C23H16O6
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass388.09468823
Monoisotopic Mass388.09468823
Topological Polar Surface Area115 Ų
Heavy Atom Count29
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W008613-01Pamoic acid
C02142Pamoic acid disodium
sc-219551Pamoic Acid-d10
HY-W010907-01Pamoic acid (disodium)
HY-W008613R-01Pamoic acid (Standard)

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