| CAS Number | 1115962-72-5 |
| Catalog Number | AG0095VO(AGN-PC-0H1T5S) |
| Chemical Name | 2-CYANOPYRIMIDINE-5-CARBOXYLIC ACID |
| IUPAC Name | 2-cyanopyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C6H3N3O2/c7-1-5-8-2-4(3-9-5)6(10)11/h2-3H,(H,10,11) |
| InChI Key | GZCITSSHGGYVFC-UHFFFAOYSA-N |
| MDL Number | MFCD12755887 |
| Molecular Formula | C6H3N3O2 |
| Molecular Weight | 149.1069 |
| SMILES | C(=O)(O)c1cnc(nc1)C#N |
| Synonyms | 2-CYANOPYRIMIDINE-5-CARBOXYLIC ACID,
1115962-72-5,
SCHEMBL185724,
GZCITSSHGGYVFC-UHFFFAOYSA-N,
5532AJ,
ZINC95644243,
5-Pyrimidinecarboxylic acid, 2-cyano-,
FCH1177703,
PB24031,
KS-000006R2,
AK-64256,
AS-34364,
SY026718,
DB-122131,
ST1140990,
CS-0051916,
Q-3608,
C6H3N3O2,
AJ-133465,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.022526g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.11g/mol |
| Monoisotopic Mass | 149.022526g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number