CAS
933-04-0 Purity
96%
933-04-0 Purity
96%
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3-Bromo-beta-oxo-benzenepropanal sodium salt
CAS
933054-29-6
Catalog Number
ACM933054296
Category
Other Products
Molecular Weight
249.04
Molecular Formula
C9H6BrNaO2
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Specification
Synonyms
933054-29-6, CTK8F0245, 3-Bromo-|A-oxo-benzenepropanal Sodium Salt, 3-Bromo-beta-oxo-benzenepropanal Sodium Salt, FT-0663815
IUPAC Name
sodium;3-(3-bromophenyl)-3-oxopropanal
Canonical SMILES
C1=CC(=CC(=C1)Br)C(=O)[CH-]C=O.[Na+]
InChI Key
XOFCJRMCOCKIIH-UHFFFAOYSA-N
Exact Mass
247.94500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular weight of 3-Bromo-beta-oxo-benzenepropanal sodium salt?
The molecular weight of 3-Bromo-beta-oxo-benzenepropanal sodium salt is 249.04 g/mol.
What is the IUPAC name of 3-Bromo-beta-oxo-benzenepropanal sodium salt?
The IUPAC name of 3-Bromo-beta-oxo-benzenepropanal sodium salt is sodium;3-(3-bromophenyl)-3-oxopropanal.
What is the InChI of 3-Bromo-beta-oxo-benzenepropanal sodium salt?
The InChI of 3-Bromo-beta-oxo-benzenepropanal sodium salt is InChI=1S/C9H6BrO2.Na/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-6H;/q-1;+1.
What is the Canonical SMILES of 3-Bromo-beta-oxo-benzenepropanal sodium salt?
The Canonical SMILES of 3-Bromo-beta-oxo-benzenepropanal sodium salt is C1=CC(=CC(=C1)Br)C(=O)[CH-]C=O.[Na+].
What is the CAS number of 3-Bromo-beta-oxo-benzenepropanal sodium salt?
The CAS number of 3-Bromo-beta-oxo-benzenepropanal sodium salt is 933054-29-6.
How many hydrogen bond donor counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?
3-Bromo-beta-oxo-benzenepropanal sodium salt has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?
3-Bromo-beta-oxo-benzenepropanal sodium salt has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?
3-Bromo-beta-oxo-benzenepropanal sodium salt has 3 rotatable bond counts.
What is the topological polar surface area of 3-Bromo-beta-oxo-benzenepropanal sodium salt?
The topological polar surface area of 3-Bromo-beta-oxo-benzenepropanal sodium salt is 34.1 Ų.
How many heavy atom counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?
3-Bromo-beta-oxo-benzenepropanal sodium salt has 13 heavy atom counts.
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