Triglochinic acid

CAT: 0013-GTR19165047-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19165047-01Size:1 mg

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Description

Triglochinic acid is a natural small molecule compound extracted from the tubers of Pinellia pedatisecta Schott. It is utilized in research areas such as phytochemistry and pharmacology for in vitro studies investigating its potential biological activities.

CAS Number

31795-12-7

Product Name Alternative

Inhibit, Inhibitor, Triglochinic acid

Purity

95.00% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (10.63 mM) ; DMSO:60 mg/mL (318.93 mM)

Smiles

OC (=O) C\C=C (/CC (O) =O) C (O) =O

Molecular Formula

C7H8O6

Molecular Weight

188.13

Storage Conditions

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Notes

For research use only.

Chemical Information

Triglochinic acid

CAS Number	31795-12-7
PubChem CID	12444517
IUPAC Name	(E)-but-2-ene-1,2,4-tricarboxylic acid
Molecular Formula	C7H8O6
Molecular Weight	188.13
XLogP	-0.8
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	264

SMILES

C(/C=C(\CC(=O)O)/C(=O)O)C(=O)O

InChI

InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1H,2-3H2,(H,8,9)(H,10,11)(H,12,13)/b4-1+

InChIKey

PQFOLJLIMNNJQY-DAFODLJHSA-N

Chemical Structure

2D Structure

CAS: 31795-12-7

CID: 12444517

Formula: C7H8O6

MW: 188.13

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	188.13
XLogP3	-0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	188.03208797
Monoisotopic Mass	188.03208797
Topological Polar Surface Area	112 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Triglochinic acid

Chemical Information

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