CAS
908494-81-5 Purity
96%
908494-81-5 Purity
96%
![2-(Carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;dimethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium](https://resource.alfa-chemistry.com/structure/908-52-1.gif)
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Chembrdg-bb 9071245
CAS
908495-37-4
Catalog Number
ACM908495374
Category
Other Products
Molecular Formula
C12H15NO3
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Specification
Synonyms
CHEMBRDG-BB 9071245;4-[(Isobutyrylamino)methyl]benzoic acid;Albb-003607
What is the molecular formula of Chembrdg-bb 9071245?
The molecular formula is C12H15NO3.
What is the molecular weight of Chembrdg-bb 9071245?
The molecular weight is 221.25 g/mol.
What is the IUPAC name of Chembrdg-bb 9071245?
The IUPAC name is 4-[(2-methylpropanoylamino)methyl]benzoic acid.
What is the Canonical SMILES of Chembrdg-bb 9071245?
The Canonical SMILES is CC(C)C(=O)NCC1=CC=C(C=C1)C(=O)O.
What is the InChIKey of Chembrdg-bb 9071245?
The InChIKey is RMFFHXZHRXYKDW-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Chembrdg-bb 9071245 have?
It has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of Chembrdg-bb 9071245?
The XLogP3-AA value is 1.6.
What is the topological polar surface area of Chembrdg-bb 9071245?
The topological polar surface area is 66.4 Ų.
Is Chembrdg-bb 9071245 compound canonicalized?
Yes, it is canonicalized.
When was Chembrdg-bb 9071245 created and last modified?
It was created on November 13, 2007, and last modified on December 30, 2023.
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