CAS
915923-39-6 Purity
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915923-39-6 Purity
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3-[(3,3-Dimethylbutanoyl)amino]benzoic acid
CAS
915923-42-1
Catalog Number
ACM915923421
Category
Other Products
Molecular Formula
C13H17NO3
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Specification
Synonyms
CHEMBRDG-BB 9071546;3-[(3,3-Dimethylbutanoyl)amino]benzoic acid;Albb-003565
What is the molecular formula of the compound in the reference?
The molecular formula is C13H17NO3.
What is the molecular weight of the compound?
The molecular weight is 235.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(3,3-dimethylbutanoylamino)benzoic acid.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CC(C)(C)CC(=O)NC1=CC=CC(=C1)C(=O)O.
What is the InChI key of the compound?
The InChI key is FLPJVCYHCRNXQX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 66.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the complexity value of the compound?
The complexity value is 294.
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915923-40-9 Purity
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