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1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde
CAS
957313-16-5
Catalog Number
ACM957313165
Category
Other Products
Molecular Weight
150.18
Molecular Formula
C8H10N2O
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Specification
Synonyms
1-ALLYL-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE;CHEMBRDG-BB 4014436;CHEMBRDG-BB 6549898
IUPAC Name
5-methyl-1-prop-2-enylpyrazole-4-carbaldehyde
InChI Key
DUBVKFJTRDGXSE-UHFFFAOYSA-N
Boiling Point
256.7ºC at 760 mmHg
Flash Point
109ºC
Density
1.04g/cm³
Exact Mass
150.07900
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The molecular formula is C8H10N2O.
When was 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde created and last modified?
It was created on August 9, 2005, and last modified on December 30, 2023.
What is the computed molecular weight of 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The molecular weight is 150.18 g/mol.
What is the InChIKey of 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is DUBVKFJTRDGXSE-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde have?
It has 2 hydrogen bond acceptors.
What is the XLogP3-AA value of 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The XLogP3-AA value is 0.8.
What is the topological polar surface area of 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The topological polar surface area is 34.9 Ǻ².
How many rotatable bond counts does 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde have?
It has 3 rotatable bond counts.
Is 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass of 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The exact mass is 150.079312947 g/mol.
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