Pamoic acid

CAT: 0024-sc-212523Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-212523Size:100 g

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CAS Number

130-85-8

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 Number	130-85-8
PubChem CID	8546
IUPAC Name	4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
Molecular Formula	C23H16O6
Molecular Weight	388.4
XLogP	5.8
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	568

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

CAS: 130-85-8

CID: 8546

Formula: C23H16O6

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	5.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	388.09468823
Monoisotopic Mass	388.09468823
Topological Polar Surface Area	115 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	568
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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sc-208143B	P-Aminobenzoic acid, Free Acid
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