CAS
923515-01-9 Purity
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923515-01-9 Purity
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2-(1H-Pyrazol-1-yl)butanoic acid
CAS
923526-87-8
Catalog Number
ACM923526878
Category
Other Products
Molecular Weight
154.166500 [g/mol]
Molecular Formula
C7H10N2O2
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Specification
Synonyms
2-(1H-pyrazol-1-yl)butanoic acid, 923526-87-8, ST088236, 2-pyrazolylbutanoic acid, AGN-PC-013PIT, SureCN1155636, 2-pyrazol-1-ylbutanoic acid, ARONIS013134, 2-(pyrazol-1-yl)butanoic acid, CTK5H1182, MolPort-002-784-122, SBB024855, STK347612, AKOS000319530, AG-H-78687, MCULE-1746240652, BB 0259286, EN300-92771
IUPAC Name
2-pyrazol-1-ylbutanoic acid
Canonical SMILES
CCC(C(=O)O)N1C=CC=N1
InChI Key
IEXRRMGTTDOMLK-UHFFFAOYSA-N
Boiling Point
295.104ºC at 760 mmHg
Flash Point
132.274ºC
Density
1.225g/cm³
Exact Mass
154.07400
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-(1H-Pyrazol-1-yl)butanoic acid?
The molecular formula is C7H10N2O2.
What is another name for 2-(1H-Pyrazol-1-yl)butanoic acid?
Another name is 2-pyrazol-1-ylbutanoic acid.
When was this compound created and modified?
It was created on 2007-07-31 and modified on 2023-12-30.
What is the molecular weight of 2-(1H-Pyrazol-1-yl)butanoic acid?
The molecular weight is 154.17 g/mol.
What is the InChIKey for this compound?
The InChIKey is IEXRRMGTTDOMLK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does this compound have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for 2-(1H-Pyrazol-1-yl)butanoic acid?
The value is 0.9.
What is the topological polar surface area of this compound?
The topological polar surface area is 55.1 Å^2.
How many rotatable bond counts does 2-(1H-Pyrazol-1-yl)butanoic acid have?
It has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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