CAS
91990-18-0 Purity
96%
91990-18-0 Purity
96%
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4-Benzoylbenzoic acid,succinimidyl ester
CAS
91990-88-4
Catalog Number
ACM91990884
Category
Other Products
Molecular Weight
323.3
Molecular Formula
C18H13NO5
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Specification
Synonyms
4-Benzoylbenzoic acid, succinimidyl ester;4-(N-Succinimidylcarboxy)benzophenone
IUPAC Name
(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate
Canonical SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI Key
MVQNJLJLEGZFGP-UHFFFAOYSA-N
Boiling Point
501.5ºC at 760mmHg
Melting Point
205-206ºC
Flash Point
257.1ºC
Density
1.4g/cm³
Appearance
White Crystalline Solid
Exact Mass
323.07900
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 4-Benzoylbenzoic acid succinimidyl ester?
The molecular formula is C18H13NO5.
When was this compound created and last modified in PubChem?
It was created on July 19, 2005, and last modified on December 30, 2023.
What is the IUPAC name of 4-Benzoylbenzoic acid succinimidyl ester?
The IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate.
What is the InChIKey of this compound?
The InChIKey is MVQNJLJLEGZFGP-UHFFFAOYSA-N.
How many hydrogen bond acceptors does this compound have?
It has 5 hydrogen bond acceptors.
What is the topological polar surface area of this compound?
The topological polar surface area is 80.8 Ų.
How many rotatable bonds does this compound have?
It has 5 rotatable bonds.
Is this compound considered canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of 4-Benzoylbenzoic acid succinimidyl ester?
The molecular weight is 323.3 g/mol.
What is the CAS number of this compound?
The CAS number is 91990-88-4.
Downstream Synthesis Route 1
- 91990-88-4
- 576-19-2
- 165898-24-8
Reference: [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1153 - 1155
[2]Journal of the American Chemical Society,1995,vol. 117,p. 8061 - 8066
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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