CAS
916259-49-9 Purity
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916259-49-9 Purity
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3-(Pyridin-3-yl)butanoic acid
CAS
916262-57-2
Catalog Number
ACM916262572
Category
Other Products
Molecular Weight
165.189140 [g/mol]
Molecular Formula
C9H11NO2
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Specification
Synonyms
3-(pyridin-3-yl)butanoic acid, SCHEMBL1209573, AKOS009220618, DB-079105, EN300-78208, A00362, 916262-57-2
IUPAC Name
3-pyridin-3-ylbutanoic acid
Canonical SMILES
CC(CC(=O)O)C1=CN=CC=C1
InChI Key
SHXGPDZSJHUZIH-UHFFFAOYSA-N
Exact Mass
165.07900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 3-(Pyridin-3-yl)butanoic acid?
The molecular formula of 3-(Pyridin-3-yl)butanoic acid is C9H11NO2.
When was 3-(Pyridin-3-yl)butanoic acid created in PubChem?
3-(Pyridin-3-yl)butanoic acid was created on December 5, 2007, in PubChem.
What is the computed molecular weight of 3-(Pyridin-3-yl)butanoic acid?
The computed molecular weight of 3-(Pyridin-3-yl)butanoic acid is 165.19 g/mol.
How many hydrogen bond donor counts does 3-(Pyridin-3-yl)butanoic acid have?
3-(Pyridin-3-yl)butanoic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of 3-(Pyridin-3-yl)butanoic acid?
The topological polar surface area of 3-(Pyridin-3-yl)butanoic acid is 50.2 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the InChIKey of 3-(Pyridin-3-yl)butanoic acid?
The InChIKey of 3-(Pyridin-3-yl)butanoic acid is SHXGPDZSJHUZIH-UHFFFAOYSA-N.
How many rotatable bond counts does 3-(Pyridin-3-yl)butanoic acid have?
3-(Pyridin-3-yl)butanoic acid has 3 rotatable bond counts.
What is the formal charge of 3-(Pyridin-3-yl)butanoic acid?
The formal charge of 3-(Pyridin-3-yl)butanoic acid is 0.
How many defined atom stereocenter counts does 3-(Pyridin-3-yl)butanoic acid have?
3-(Pyridin-3-yl)butanoic acid has 0 defined atom stereocenter counts.
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916259-53-5 Purity
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916263-17-7 Purity
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