ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate (CAS 94349-45-8) — formula C14H20O4, molecular weight 252.31; category organic chemicals.
| CAS Number | 94349-45-8 |
|---|---|
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.31 |
| LogP | 2.6 |
| Category | Organic Chemicals |
ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate is a carbon-based organic compound with CAS registry number 94349-45-8 and molecular formula C14H20O4 (molecular weight 252.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94349-45-8
Its molecular formula C14H20O4 comprises 14 C, 20 H, 4 O atoms.
Also known as: ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate · 3,4,5,6,7,8-六氢-4,4-二甲基-2-氧代-2H-1-苯并吡喃-3-甲酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate is 94349-45-8.
Molecular formula C14H20O4, molecular weight 252.31.
It is also registered under: ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate, 3,4,5,6,7,8-六氢-4,4-二甲基-2-氧代-2H-1-苯并吡喃-3-甲酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate (CAS 94349-45-8), compiled from public chemistry databases.
| CAS 号 | 94349-45-8 |
|---|---|
| PubChem CID | 16206123 |
| 分子式 | C14H20O4 |
| IUPAC 名称 | ethyl 4,4-dimethyl-2-oxo-5,6,7,8-tetrahydro-3H-chromene-3-carboxylate |
| UNII（FDA） | NS00066354 |
| Molecular Weight | 252.31 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.13615911 |
| Monoisotopic Mass | 252.13615911 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 18 |
94349-45-8; Ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate; EINECS 305-162-9; RefChem:138641; 305-162-9; DTXSID50915615; AVEWKITZFFDLLF-UHFFFAOYSA-N; Ethyl 4,4-dimethyl-2-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate; NS00066354; EINECS 305-162-9, Ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate, 94349-45-8
3,4,5,6,7,8-六氢-4,4-二甲基-2-氧代-2H-1-苯并吡喃-3-甲酸乙酯 · CAS 94349-45-8 · C14H20O4. UNII NS00066354.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.