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Structure

(R)-(+)-Alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt

CAS
26774-89-0
Catalog Number
ACM26774890
Category
Other Products
Molecular Weight
273.26
Molecular Formula
C13H16NNaO4

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Specification

Synonyms
26774-89-0, EINECS 248-000-1, Sodium (R)-alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate
IUPAC Name
sodium;(2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate
Canonical SMILES
CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+]
InChI Key
XWVDGMIXJIIFTO-UUFRONBISA-M
Melting Point
240ºC (dec.)
Appearance
White to off-white crystalline powder
EC Number
248-000-1
Exact Mass
273.09800
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
S26-S36
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