| CAS Number | 1147746-76-6 |
| Catalog Number | AG019V5J(AGN-PC-0WO5U7) |
| Chemical Name | 4-(Propan-2-yl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 4-propan-2-ylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c1-5(2)7-6(8(11)12)3-9-4-10-7/h3-5H,1-2H3,(H,11,12) |
| InChI Key | LKOMIQVTMTVECF-UHFFFAOYSA-N |
| MDL Number | MFCD12197024 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CC(C1=C(C(O)=O)C=NC=N1)C |
| Synonyms | 4-(propan-2-yl)pyrimidine-5-carboxylic acid,
1147746-76-6,
AC1Q1OBP,
SCHEMBL18798775,
CTK6A6093,
ZINC32937841,
AKOS008139595,
MCULE-9021698895,
NE23147,
NCGC00331205-01,
FT-0753343,
EN300-43814,
AB00998916-01,
AB00998916-03,
5-Pyrimidinecarboxylic acid, 4-(1-methylethyl)-,
4-isopropylpyrimidine-5-carboxylic acid,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number