CAS
93939-73-2 Purity
96%
93939-73-2 Purity
96%
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Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate
CAS
93939-79-8
Catalog Number
ACM93939798
Category
Other Products
Molecular Weight
273.260210 [g/mol]
Molecular Formula
C13H17NO4Na
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Specification
Synonyms
EINECS 300-369-0, 93939-79-8, Sodium (Z)-alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate
IUPAC Name
sodium 2-cyclohexa-1,4-dien-1-yl-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate
SMILES
CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+]
InChI Key
XWVDGMIXJIIFTO-UOQXYWCXSA-M
EC Number
300-369-0
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The molecular formula is C13H16NNaO4.
What is the molecular weight of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The molecular weight is 273.26 g/mol.
What is the IUPAC name of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The IUPAC name is sodium;2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate.
What is the InChI of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The InChI is InChI=1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+.
What is the canonical SMILES of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The canonical SMILES is CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+].
What is the CAS number of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The CAS number is 50316-92-2.
What is the hydrogen bond donor count of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The hydrogen bond donor count is 1.
What is the hydrogen bond acceptor count of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The hydrogen bond acceptor count is 5.
What is the rotatable bond count of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The rotatable bond count is 6.
What is the topological polar surface area of Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?
The topological polar surface area is 78.5 ?2.
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