Ethacrynic Acid Epoxide

CAT: 0572-TRC-E676005-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-E676005-1GSize:1 g

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CAS Number

27223-10-5

Synonyms

[2,3-Dichloro-4-(2-ethylglycidoyl)phenoxy]acetic Acid; 2-[2,3-Dichloro-4-[(2-ethyl-2-oxiranyl)carbonyl]phenoxy]acetic Acid

Hazard Statement

Harmful if swallowed.

Purity

>95% (HPLC)

Smiles

ClC1=C(Cl)C(C(C2(CO2)CC)=O)=CC=C1OCC(O)=O

Molecular Formula

C13H12Cl2O5

Molecular Weight

319.14

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Ethacrynic acid epoxide

CAS Number	27223-10-5
PubChem CID	154124476
IUPAC Name	2-[2,3-dichloro-4-(2-ethyloxirane-2-carbonyl)phenoxy]acetic acid
Molecular Formula	C13H12Cl2O5
Molecular Weight	319.13
XLogP	2.8
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	402

SMILES

CCC1(CO1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl

InChI

InChI=1S/C13H12Cl2O5/c1-2-13(6-20-13)12(18)7-3-4-8(11(15)10(7)14)19-5-9(16)17/h3-4H,2,5-6H2,1H3,(H,16,17)

InChIKey

XAYYIOYUOMBDNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27223-10-5

CID: 154124476

Formula: C13H12Cl2O5

MW: 319.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	319.13
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	318.0061789
Monoisotopic Mass	318.0061789
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	402
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-E676000-100MG	Ethacrynic Acid
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TRC-E676002-10MG	Ethacrynic Acid-d5
TRC-E676020-25MG	Ethacrynic Acid Mercapturate (Mixture of diastereomers)
TRC-E676010-25MG	Ethacrynic Acid L-Cysteine Adduct
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TRC-D291797-25MG	2-Desmethylene-2-hydroxymethyl Ethacrynic Acid-d5
D291795	2-Desmethylene-2-hydroxymethyl Ethacrynic Acid Potassium Salt

Alternative Products

Catalog	Name
AR-E02334-01	Ethacrynic Acid Epoxide
T4564-01	Ethacrynic acid
275056-01	Ethacrynic acid mercapturate
HY-B1640R-01	Ethacrynic acid (Standard)
HY-B1640A	Ethacrynic acid (sodium)
T11240	Ethacrynic acid D5

Ethacrynic Acid Epoxide

Chemical Information

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