CAS
94110-03-9 Purity
96%
94110-03-9 Purity
96%
Inquiry Basket
4-(1,3-Dioxo-3-phenylpropyl)-3-hydroxyphenyl benzoate,potassium salt
CAS
94110-06-2
Catalog Number
ACM94110062
Category
Other Products
Molecular Weight
398.449800 [g/mol]
Molecular Formula
C22H15KO5
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
EINECS 302-545-2, 4-(1,3-Dioxo-3-phenylpropyl)-3-hydroxyphenyl benzoate, potassium salt, 94110-06-2
IUPAC Name
potassium 5-benzoyloxy-2-(3-oxo-3-phenylpropanoyl)phenolate
Canonical SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)[O-].[K+]
InChI Key
IJKLVIDAISTSRB-UHFFFAOYSA-M
EC Number
302-545-2
Exact Mass
398.05600
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44152602?
The molecular formula is C22H15KO5.
What are some synonyms of the compound with PubChem CID 44152602?
Some synonyms include EINECS 302-545-2 and 94110-06-2.
When was the compound first created and last modified in PubChem?
It was first created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is potassium;5-benzoyloxy-2-(3-oxo-3-phenylpropanoyl)phenolate.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is C1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)[O-].[K+].
What is the CAS number of the compound?
The CAS number is 94110-06-2.
How many hydrogen bond acceptor counts does the compound have?
It has 5 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 398.05565506 g/mol.
How many rotatable bond counts does the compound have?
It has 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
CAS
94110-07-3 Purity
---
94110-07-3 Purity
---
CAS
94110-08-4 Purity
96%
94110-08-4 Purity
96%
![Methyl alpha-[(methoxycarbonyl)oxy]furan-2-acetate](https://resource.alfa-chemistry.com/structure/94110-10-8.gif)
