CAS
94231-89-7 Purity
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94231-89-7 Purity
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1H-Pyrazole-3-carboxaldehyde,1-ethyl-
CAS
942319-16-6
Catalog Number
ACM942319166
Category
Other Products
Molecular Weight
124.14
Molecular Formula
C6H8N2O
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Specification
Synonyms
ART-CHEM-BB B007396;1-ETHYL-1H-PYRAZOLE-3-CARBALDEHYDE;AKOS B007396
IUPAC Name
1-ethylpyrazole-3-carbaldehyde
Canonical SMILES
CCN1C=CC(=N1)C=O
InChI Key
ZARQNKUDEQVTTD-UHFFFAOYSA-N
Boiling Point
229.9ºC at 760 mmHg
Flash Point
92.8ºC
Density
1.1g/cm³
Exact Mass
124.06400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1H-Pyrazole-3-carboxaldehyde,1-ethyl?
The molecular formula is C6H8N2O.
What is the molecular weight of 1H-Pyrazole-3-carboxaldehyde,1-ethyl?
The molecular weight is 124.14 g/mol.
What is the IUPAC name of 1H-Pyrazole-3-carboxaldehyde,1-ethyl?
The IUPAC name is 1-ethylpyrazole-3-carbaldehyde.
What is the InChI of 1H-Pyrazole-3-carboxaldehyde,1-ethyl?
The InChI is InChI=1S/C6H8N2O/c1-2-8-4-3-6(5-9)7-8/h3-5H,2H2,1H3.
What is the InChIKey of 1H-Pyrazole-3-carboxaldehyde,1-ethyl?
The InChIKey is ZARQNKUDEQVTTD-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1H-Pyrazole-3-carboxaldehyde,1-ethyl have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1H-Pyrazole-3-carboxaldehyde,1-ethyl have?
It has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of 1H-Pyrazole-3-carboxaldehyde,1-ethyl?
The topological polar surface area is 34.9 ?2.
How many rotatable bond counts does 1H-Pyrazole-3-carboxaldehyde,1-ethyl have?
It has 2 rotatable bond counts.
Is 1H-Pyrazole-3-carboxaldehyde,1-ethyl a canonicalized compound?
Yes, it is a canonicalized compound.
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