CAS
94713-27-6 Purity
96%
94713-27-6 Purity
96%
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Phenylacetone-d5
CAS
947-14-8
Catalog Number
ACM947148
Category
Other Products
Molecular Weight
139.21
Molecular Formula
C9H5D5O
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Specification
Synonyms
3-Phenyl-2-propanone-1,1,1,3,3-d5; 1-Phenyl-2-propanone-d5;
IUPAC Name
1,1,1,3,3-pentadeuterio-3-phenylpropan-2-one
Canonical SMILES
CC(=O)CC1=CC=CC=C1
InChI Key
QCCDLTOVEPVEJK-WRMAMSRYSA-N
Exact Mass
134.07300
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Phenylacetone-d5?
The molecular formula of Phenylacetone-d5 is C9H10O.
When was Phenylacetone-d5 created and last modified in PubChem?
Phenylacetone-d5 was created on February 7, 2007, and last modified on December 30, 2023.
What is the IUPAC name of Phenylacetone-d5?
The IUPAC name of Phenylacetone-d5 is 1,1,1,3,3-pentadeuterio-3-phenylpropan-2-one.
What is the InChIKey of Phenylacetone-d5?
The InChIKey of Phenylacetone-d5 is QCCDLTOVEPVEJK-WRMAMSRYSA-N.
How is the Canonical SMILES of Phenylacetone-d5 represented?
The Canonical SMILES of Phenylacetone-d5 is CC(=O)CC1=CC=CC=C1.
What is the molecular weight of Phenylacetone-d5?
The molecular weight of Phenylacetone-d5 is 139.21 g/mol.
What is the exact mass of Phenylacetone-d5?
The exact mass of Phenylacetone-d5 is 139.104548668 g/mol.
How many hydrogen bond acceptors does Phenylacetone-d5 have?
Phenylacetone-d5 has 1 hydrogen bond acceptor.
How many rotatable bonds are present in Phenylacetone-d5?
Phenylacetone-d5 has 2 rotatable bonds.
Is the compound is canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
947146-42-1 Purity
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947146-42-1 Purity
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