3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2alpha,5alpha)-(9CI) (CAS 72013-61-7) — formula C6H6N2O, molecular weight 122.12; category organic chemicals.
| CAS Number | 72013-61-7 |
|---|---|
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.12 |
| LogP | -0.5 |
| Category | Organic Chemicals |
3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2alpha,5alpha)-(9CI) is a carbon-based organic compound with CAS registry number 72013-61-7 and molecular formula C6H6N2O (molecular weight 122.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72013-61-7
Its molecular formula C6H6N2O comprises 6 C, 6 H, 2 N, 1 O atoms.
Also known as: 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2alpha,5alpha)-(9CI) · 3-氮杂双环[3.1.0]己烷-2-甲腈,4-氧代-,(1α,2α,5α)-(9CI)
Category: organic chemicals
The CAS registry number of 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2alpha,5alpha)-(9CI) is 72013-61-7.
Molecular formula C6H6N2O, molecular weight 122.12.
It is also registered under: 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2alpha,5alpha)-(9CI), 3-氮杂双环[3.1.0]己烷-2-甲腈,4-氧代-,(1α,2α,5α)-(9CI).
Category: Organic Chemicals.
Independent reference data for 3-Azabicyclo[3.1.0]hexane-2-carbonitrile,4-oxo-,(1alpha,2alpha,5alpha)-(9CI) (CAS 72013-61-7), compiled from public chemistry databases.
| CAS 号 | 72013-61-7 |
|---|---|
| PubChem CID | 45092498 |
| 分子式 | C6H6N2O |
| IUPAC 名称 | (1R,2R,5S)-4-oxo-3-azabicyclo[3.1.0]hexane-2-carbonitrile |
| Molecular Weight | 122.12 |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.048012819 |
| Monoisotopic Mass | 122.048012819 |
| Topological Polar Surface Area | 52.9 |
| Heavy Atom Count | 9 |
3-氮杂双环[3.1.0]己烷-2-甲腈,4-氧代-,(1α,2α,5α)-(9CI) · CAS 72013-61-7 · C6H6N2O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.