M-HYDROXYBENZOYLECGONINE (CAS 129944-99-6) — formula C16H19NO5, molecular weight 305.32; category organic chemicals.
| CAS Number | 129944-99-6 |
|---|---|
| Molecular Formula | C16H19NO5 |
| Molecular Weight | 305.32 |
| LogP | -0.7 |
| Category | Organic Chemicals |
M-HYDROXYBENZOYLECGONINE is a carbon-based organic compound with CAS registry number 129944-99-6 and molecular formula C16H19NO5 (molecular weight 305.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 129944-99-6
Its molecular formula C16H19NO5 comprises 16 C, 19 H, 1 N, 5 O atoms.
Also known as: M-HYDROXYBENZOYLECGONINE · 间羟基苯甲酰爱康宁
Category: organic chemicals
The CAS registry number of M-HYDROXYBENZOYLECGONINE is 129944-99-6.
Molecular formula C16H19NO5, molecular weight 305.32.
It is also registered under: M-HYDROXYBENZOYLECGONINE, 间羟基苯甲酰爱康宁.
Category: Organic Chemicals.
Independent reference data for M-HYDROXYBENZOYLECGONINE (CAS 129944-99-6), compiled from public chemistry databases.
| CAS Registry Number | 129944-99-6 |
|---|---|
| PubChem CID | 448357 |
| Molecular formula | C16H19NO5 |
| IUPAC name | (1R,2R,3S,5S)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
| UNII (FDA) | XD3FI6U4BP |
| Molecular Weight | 305.32 |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 305.12632271 |
| Monoisotopic Mass | 305.12632271 |
| Topological Polar Surface Area | 87.1 |
| Heavy Atom Count | 22 |
3-Hydroxybenzoylecgonine; 129944-99-6; m-Hydroxybenzoylecgonine; XD3FI6U4BP; DTXSID40926533; 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((3-hydroxybenzoyl)oxy)-8-methyl-, (1R-(exo,exo))-; RefChem:502531; DTXCID201513191; 634-168-7; meta-hydroxybenzoylecgonine; (1R,2R,3S,5S)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid; 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID; (1R,2R,3S,5S)-3-((3-Hydroxybenzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid; (1R,2R,3S,5S)-3-[(3-Hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid; (1R,2R,3S,5S)-3-((3-HYDROXYBENZOYL)OXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID; (1R,2R,3S,5S)-3-(3-HYDROXYBENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
| Reported hazard statements | H302 (100%), H312 (100%), H317 (100%), H332 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
M-HYDROXYBENZOYLECGONINE · CAS 129944-99-6 · C16H19NO5. UNII XD3FI6U4BP.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 间羟基苯甲酰爱康宁