CAS
94107-83-2 Purity
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94107-83-2 Purity
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(Alpha-ethylbenzeneacetato-o)hydroxymagnesium
CAS
94107-87-6
Catalog Number
ACM94107876
Category
Other Products
Molecular Weight
204.505480 [g/mol]
Molecular Formula
C10H12MgO3
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Specification
Synonyms
94107-87-6, OR050761, Hydroxy[(2-phenyl-1-oxobutyl)oxy]magnesium, MAGNESIUM(2+) ION ?-PHENYLBUTYRATE HYDROXIDE
IUPAC Name
magnesium;2-phenylbutanoate;hydroxide
Canonical SMILES
CCC(C1=CC=CC=C1)C(=O)[O-].[OH-].[Mg+2]
InChI Key
WNTPMXITZFRUQZ-UHFFFAOYSA-L
EC Number
302-324-0
Exact Mass
204.06400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C10H12MgO3.
When was the compound created and last modified?
The compound was created on March 21, 2012, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is magnesium;2-phenylbutanoate;hydroxide.
What is the InChIKey of the compound?
The InChIKey is WNTPMXITZFRUQZ-UHFFFAOYSA-L.
What is the Canonical SMILES notation for the compound?
The Canonical SMILES is CCC(C1=CC=CC=C1)C(=O)[O-].[OH-].[Mg+2].
What is the European Community (EC) Number for the compound?
The EC Number is 302-324-0.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 204.0636859 g/mol.
How many defined atom stereocenter counts are there in the compound?
There are 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
94107-88-7 Purity
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94107-88-7 Purity
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CAS
94107-92-3 Purity
96%
94107-92-3 Purity
96%
