| CAS Number | 1345472-13-0 |
| Catalog Number | AG007ZXP(AGN-PC-0WNRNQ) |
| Chemical Name | 2-Butylpyrazole-3-carbaldehyde |
| IUPAC Name | 2-butylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C8H12N2O/c1-2-3-6-10-8(7-11)4-5-9-10/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | ASHIUVHKQZMLDQ-UHFFFAOYSA-N |
| MDL Number | MFCD20441938 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CCCCn1nccc1C=O |
| Synonyms | 2-Butylpyrazole-3-carbaldehyde,
1345472-13-0,
1-Butyl-1H-pyrazole-5-carbaldehyde,
ACMC-209bvz,
CTK8B0258,
DTXSID30718444,
ANW-19677,
MFCD20441938,
ZINC72226716,
AKOS022186708,
FCH1602820,
CJ-21679,
AJ-120740,
AX8283957,
TC-108422,
Z9804,
C8H12N2O,
B-9480,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number