| CAS Number | 596844-18-7 |
| Catalog Number | AG003A3Q(AGN-PC-0N0CKK) |
| Chemical Name | 5,6-Dihydro-4(1H)-cyclopentapyrazolone |
| IUPAC Name | 5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one |
| InChI | InChI=1S/C6H6N2O/c9-6-2-1-5-4(6)3-7-8-5/h3H,1-2H2,(H,7,8) |
| InChI Key | FBAMWFMIJZIVKS-UHFFFAOYSA-N |
| MDL Number | MFCD13816234 |
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.1246 |
| SMILES | N1N=CC2=C1CCC2=O |
| Synonyms | 596844-18-7,
5,6-dihydrocyclopenta[c]pyrazol-4(1h)-one,
1H,4H,5H,6H-cyclopenta[c]pyrazol-4-one,
4(1H)-Cyclopentapyrazolone, 5,6-dihydro-,
SCHEMBL5944129,
ZINC38701049,
AKOS002682457,
5,6-Dihydro-4(1H)-cyclopentapyrazolone,
FT-0739550,
CID10192567,
7,8-diazabicyclo[3.3.0]octa-6,9-dien-4-one,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.127g/mol |
| Monoisotopic Mass | 122.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233
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UN Code
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\N
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Certificate of Analysis
Lot Number