1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrop henyl ester, (3aS,4S,6aR)- (CAS 95114-52-6) — formula C21H16O2, molecular weight 300.3; category organic chemicals.
| CAS Number | 95114-52-6 |
|---|---|
| Molecular Formula | C21H16O2 |
| Molecular Weight | 300.3 |
| LogP | 4.1 |
| Category | Organic Chemicals |
1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrop henyl ester, (3aS,4S,6aR)- is a carbon-based organic compound with CAS registry number 95114-52-6 and molecular formula C21H16O2 (molecular weight 300.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 95114-52-6
Its molecular formula C21H16O2 comprises 21 C, 16 H, 2 O atoms.
Also known as: 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrop henyl ester, (3aS,4S,6aR)- · 1H-噻吩并(3,4-d)咪唑-4-戊酸，六氢-2-氧代-, 4-硝基苯基酯，(3aS,4S,6aR)-
Category: organic chemicals
The CAS registry number of 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrop henyl ester, (3aS,4S,6aR)- is 95114-52-6.
Molecular formula C21H16O2, molecular weight 300.3.
It is also registered under: 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrop henyl ester, (3aS,4S,6aR)-, 1H-噻吩并(3,4-d)咪唑-4-戊酸，六氢-2-氧代-, 4-硝基苯基酯，(3aS,4S,6aR)-.
Category: Organic Chemicals.
Independent reference data for 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 4-nitrop henyl ester, (3aS,4S,6aR)- (CAS 95114-52-6), compiled from public chemistry databases.
| CAS 号 | 95114-52-6 |
|---|---|
| PubChem CID | 128966 |
| 分子式 | C21H16O2 |
| IUPAC 名称 | (7S,8S)-8-methyl-7H-benzo[a]pyrene-7,8-diol |
| Molecular Weight | 300.3 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 300.115029749 |
| Monoisotopic Mass | 300.115029749 |
| Topological Polar Surface Area | 40.5 |
| Heavy Atom Count | 23 |
7,8-Ddmbp; 89524-80-1; 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene; trans-7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene; Benzo(a)pyrene-7,8-diol, 7,8-dihydro-8-methyl-, trans-; RefChem:105585; (7s,8s)-8-methyl-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol; 95114-52-6; DTXSID80915108; 8-Methyl-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol
1H-噻吩并(3,4-d)咪唑-4-戊酸，六氢-2-氧代-, 4-硝基苯基酯，(3aS,4S,6aR)- · CAS 95114-52-6 · C21H16O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.