| CAS Number | 1403333-94-7 |
| Catalog Number | AG00IL82(AGN-PC-0WG3IO) |
| Chemical Name | 1-Cyclopropyl-1H-Pyrazole-3-Carboxylic Acid |
| IUPAC Name | 1-cyclopropylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2/c10-7(11)6-3-4-9(8-6)5-1-2-5/h3-5H,1-2H2,(H,10,11) |
| InChI Key | JZQMSGVEUQXVNH-UHFFFAOYSA-N |
| MDL Number | MFCD26520322 |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.1506 |
| SMILES | OC(=O)c1ccn(n1)C1CC1 |
| Synonyms | 1-Cyclopropyl-1H-pyrazole-3-carboxylic acid,
1403333-94-7,
SCHEMBL1433456,
JZQMSGVEUQXVNH-UHFFFAOYSA-N,
MFCD26520322,
ZINC90412989,
AKOS030630387,
AS-43666,
Cyclopropyl-1H-pyrazole-3-carboxylic acid,
CS-0052579,
Y9015,
C7H8N2O2,
401629-04-7,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.153g/mol |
| Monoisotopic Mass | 152.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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