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AA01831

100305-93-9 | 2-Isopropylpyrazole-3-carbaldehyde

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% In Stock US $178.00 $125.00 -   +
5g 95% In Stock US $581.00 $407.00 -   +
10g 95% In Stock US $1,072.00 $750.00 -   +
25g 95% In Stock US $1,929.00 $1,350.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA01831
Chemical Name: 2-Isopropylpyrazole-3-carbaldehyde
CAS Number: 100305-93-9
Molecular Formula: C7H10N2O
Molecular Weight: 138.1671
MDL Number: MFCD03130042
IUPAC Name: 2-propan-2-ylpyrazole-3-carbaldehyde
InChl: InChI=1S/C7H10N2O/c1-6(2)9-7(5-10)3-4-8-9/h3-6H,1-2H3
InChl Key: JGQABCBGCJORGR-UHFFFAOYSA-N
SMILES: O=Cc1ccnn1C(C)C

 

Computed Properties
Complexity: 125  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 138.079g/mol
Formal Charge: 0
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Molecular Weight: 138.17g/mol
Monoisotopic Mass: 138.079g/mol
Rotatable Bond Count: 2  
Topological Polar Surface Area: 34.9A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.7  

 

 

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