CAS
98694-58-7 Purity
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98694-58-7 Purity
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1H-Pyrazole-4-carboxaldehyde,5-methyl-1-phenyl-
CAS
98700-50-6
Catalog Number
ACM98700506
Category
Other Products
Molecular Weight
186.21
Molecular Formula
C11H10N2O
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Specification
Synonyms
5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde, 98700-50-6, 5-methyl-1-phenylpyrazole-4-carbaldehyde, 5-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde, ZINC00158816, AC1MCQYZ, ACMC-20am2d, AC1Q2EVU, CTK5I0033, MolPort-000-142-531, SBB090435, AKOS009158865, AG-A-86284, AG-I-00230, CC15504, RP03447, BP-10380, KB-43690, FT-0620591, Y4887
IUPAC Name
5-methyl-1-phenylpyrazole-4-carbaldehyde
Canonical SMILES
CC1=C(C=NN1C2=CC=CC=C2)C=O
InChI Key
IIEFFVFWBUGUTI-UHFFFAOYSA-N
Boiling Point
326.5ºC at 760mmHg
Melting Point
76ºC
Flash Point
151.3ºC
Density
1.13g/cm³
Exact Mass
186.07900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The molecular formula is C11H10N2O.
What is the molecular weight of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The molecular weight is 186.21 g/mol
What is the IUPAC name of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The IUPAC name is 5-methyl-1-phenylpyrazole-4-carbaldehyde.
What is the InChI of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The InChI is InChI=1S/C11H10N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-8H,1H3.
What is the InChIKey of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The InChIKey is IIEFFVFWBUGUTI-UHFFFAOYSA-N.
What is the Canonical SMILES of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The Canonical SMILES is CC1=C(C=NN1C2=CC=CC=C2)C=O.
What is the CAS number for 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The CAS number is 98700-50-6.
How many hydrogen bond acceptors are there in 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
There are 2 hydrogen bond acceptors.
What is the topological polar surface area of 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-phenyl?
The topological polar surface area is 34.9 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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