| CAS Number | 16290-53-2 |
| Catalog Number | AG00AD1Y(AGN-PC-0WB5JH) |
| Chemical Name | (4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid |
| IUPAC Name | 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetic acid |
| InChI | InChI=1S/C8H6N2O3S/c11-6(12)3-10-4-9-5-1-2-14-7(5)8(10)13/h1-2,4H,3H2,(H,11,12) |
| InChI Key | BTEYBHXIMULYQW-UHFFFAOYSA-N |
| MDL Number | MFCD11641797 |
| Molecular Formula | C8H6N2O3S |
| Molecular Weight | 210.2098 |
| SMILES | OC(=O)CN1C=NC2=C(SC=C2)C1=O |
| Synonyms | 16290-53-2,
(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid,
2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid,
ALBB-030853,
BBL032000,
MFCD11641797,
STK933151,
ZINC32500184,
AKOS005662788,
MCULE-6787277293,
AJ-85341,
Y-6849,
(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid(SALTDATA,
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetic acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.207g/mol |
| Monoisotopic Mass | 210.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number