| CAS Number | 1226694-29-6 |
| Catalog Number | AG00A076(AGN-PC-0WBDBL) |
| Chemical Name | 1-Isopropyl-1H-pyrazole-3-carbaldehyde |
| IUPAC Name | 1-propan-2-ylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C7H10N2O/c1-6(2)9-4-3-7(5-10)8-9/h3-6H,1-2H3 |
| InChI Key | BQLFIVZVVNOHEI-UHFFFAOYSA-N |
| MDL Number | MFCD20491490 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | O=CC1=NN(C(C)C)C=C1 |
| Synonyms | 1-isopropyl-1H-pyrazole-3-carbaldehyde,
1226694-29-6,
1-isopropylpyrazole-3-carbaldehyde,
SCHEMBL1064993,
BQLFIVZVVNOHEI-UHFFFAOYSA-N,
MFCD20491490,
SBB073805,
ZINC72209628,
AKOS015920695,
1-(methylethyl)pyrazole-3-carbaldehyde,
CS-W004227,
MCULE-1839493949,
AS-47577,
DA-47068,
AM20080168,
FT-0749341,
1-(propan-2-yl)-1H-pyrazole-3-carbaldehyde,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number