3-(12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid (CAS 412962-43-7) — formula C12H12N2O3S, molecular weight 264.30; category organic chemicals.
| CAS Number | 412962-43-7 |
|---|---|
| Molecular Formula | C12H12N2O3S |
| Molecular Weight | 264.30 |
| LogP | 0.8 |
| Category | Organic Chemicals |
3-(12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid is a carbon-based organic compound with CAS registry number 412962-43-7 and molecular formula C12H12N2O3S (molecular weight 264.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 412962-43-7
Its molecular formula C12H12N2O3S comprises 12 C, 12 H, 2 N, 3 O, 1 S atoms.
Also known as: 3-(12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid · 3-(12-氧代-7-硫杂-9,11-二氮杂三环[6.4.0.0(2,6)]十二-1(8),2(6),9-三烯-10-基)丙酸
Category: organic chemicals
The CAS registry number of 3-(12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid is 412962-43-7.
Molecular formula C12H12N2O3S, molecular weight 264.30.
It is also registered under: 3-(12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, 3-(12-氧代-7-硫杂-9,11-二氮杂三环[6.4.0.0(2,6)]十二-1(8),2(6),9-三烯-10-基)丙酸.
Category: Organic Chemicals.
Independent reference data for 3-(12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid (CAS 412962-43-7), compiled from public chemistry databases.
| CAS 号 | 412962-43-7 |
|---|---|
| PubChem CID | 3836940 |
| 分子式 | C12H12N2O3S |
| IUPAC 名称 | 3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid |
| UNII（FDA） | Z119989424 |
| Molecular Weight | 264.30 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 264.05686342 |
| Monoisotopic Mass | 264.05686342 |
| Topological Polar Surface Area | 107 |
| Heavy Atom Count | 18 |
412962-43-7; 3-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoic acid; CHEMBL4175931; MFCD00441400; 3-(12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid; 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid; 3-(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoic acid; SCHEMBL9886612; BDBM50285363; SBB078278; AKOS008064224; EBC-605261; SY132635; EN300-09757; G25942; Z119989424
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
3-(12-氧代-7-硫杂-9,11-二氮杂三环[6.4.0.0(2,6)]十二-1(8),2(6),9-三烯-10-基)丙酸 · CAS 412962-43-7 · C12H12N2O3S. UNII Z119989424.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(12-氧代-7-硫杂-9,11-二氮杂三环[6.4.0.0(2,6)]十二-1(8),2(6),9-三烯-10-基)丙酸