抗倒酯

Description

TRINEXAPAC-ETHYL · CAS 95266-40-3 · C13H16O5. UNII Q89W563T9J.

Identification

CAS Registry Number	95266-40-3
PubChem CID	92421
Molecular formula	C13H16O5
IUPAC name	ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
UNII (FDA)	Q89W563T9J

Computed Descriptors

Molecular Weight	252.26
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	252.09977361
Monoisotopic Mass	252.09977361
Topological Polar Surface Area	80.7
Heavy Atom Count	18
Formal Charge	0

Physical description & handling notes

• 167.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9032535]
• 152.92 Ų [M+H]+ [CCS Type: TW]

Synonyms

Trinexapac-ethyl; 95266-40-3; Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate; Cimectacarb; Moddus; Primo; Trinexapac-ethyl [ISO]; MFCD01632318; ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate; DTXSID9032535; Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate; Q89W563T9J; Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester; CGA 163935; Cimectacarb; Moddus; Primo; Primo Maxx; Ethyl 4-[cyclopropyl(hydroxy)methylene]-3,5-dioxocyclohexanecarboxylate; UNII-Q89W563T9J

Frequently Asked Questions

What are the CAS number and molecular formula of TRINEXAPAC-ETHYL?

CAS 95266-40-3; molecular formula C13H16O5; molecular weight — g/mol.

What other names is TRINEXAPAC-ETHYL known by?

Trinexapac-ethyl, 95266-40-3, Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate, Cimectacarb, Moddus, Primo.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.