| CAS Number | 75438-77-6 |
| Catalog Number | AG00ICMS(AGN-PC-0OHN9W) |
| Chemical Name | 2-Cyclopropyl-5-nitropyrimidine-4,6-diol |
| IUPAC Name | 2-cyclopropyl-4-hydroxy-5-nitro-1H-pyrimidin-6-one |
| InChI | InChI=1S/C7H7N3O4/c11-6-4(10(13)14)7(12)9-5(8-6)3-1-2-3/h3H,1-2H2,(H2,8,9,11,12) |
| InChI Key | LODQXLJNUJXOHS-UHFFFAOYSA-N |
| MDL Number | MFCD28991863 |
| Molecular Formula | C7H7N3O4 |
| Molecular Weight | 197.1482 |
| SMILES | Oc1nc(nc(O)c1[N+]([O-])=O)C1CC1 |
| Synonyms | 2-Cyclopropyl-5-nitropyrimidine-4,6-diol,
75438-77-6,
SCHEMBL1759384,
LODQXLJNUJXOHS-UHFFFAOYSA-N,
MFCD28991863,
AKOS027255702,
ZINC117019970,
2-cyclopropyl-5-nitro-4,6-pyrimidinediol,
CS-0036092,
2-cyclopropyl-4,6-dihydroxy-5-nitro-pyrimidine,
4(3H)-Pyrimidinone,2-cyclopropyl-6-hydroxy-5-nitro-,
4(1H)-Pyrimidinone, 2-cyclopropyl-6-hydroxy-5-nitro-,
4(3H)-Pyrimidinone, 2-cyclopropyl-6-hydroxy-5-nitro-,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.15g/mol |
| Monoisotopic Mass | 197.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number