| CAS Number | 35852-74-5 |
| Catalog Number | AG00CKX0(AGN-PC-0KV9RD) |
| Chemical Name | 1-Allyl-1H-pyrazole |
| IUPAC Name | 1-prop-2-enylpyrazole |
| InChI | InChI=1S/C6H8N2/c1-2-5-8-6-3-4-7-8/h2-4,6H,1,5H2 |
| InChI Key | BPPPRRLOPGKVMQ-UHFFFAOYSA-N |
| MDL Number | MFCD00034406 |
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.1411 |
| SMILES | C=CCN1N=CC=C1 |
| Synonyms | 1-ALLYL-1H-PYRAZOLE,
35852-74-5,
1-(prop-2-en-1-yl)-1H-pyrazole,
1-Allylpyrazole, 97%,
1-prop-2-enylpyrazole,
n-allylpyrazole,
AC1MR99I,
SCHEMBL325049,
DTXSID10392963,
ZINC399151,
9666AH,
AKOS013123747,
MCULE-9111460937,
AJ-21714,
Z-5096,
C6H8N2,
CID3489293,
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| Complexity | 80.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 108.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 108.144g/mol |
| Monoisotopic Mass | 108.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number