2-(CYANOMETHYL)BENZOIC ACID (CAS 6627-91-4) — formula C9H7NO2, molecular weight 161.16; category organic chemicals.
| CAS Number | 6627-91-4 |
|---|---|
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.16 |
| LogP | 1.8 |
| Category | Organic Chemicals |
2-(CYANOMETHYL)BENZOIC ACID is a carbon-based organic compound with CAS registry number 6627-91-4 and molecular formula C9H7NO2 (molecular weight 161.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6627-91-4
Its molecular formula C9H7NO2 comprises 9 C, 7 H, 1 N, 2 O atoms.
Also known as: 2-(CYANOMETHYL)BENZOIC ACID · 2-(氰基甲基)苯甲酸
Category: organic chemicals
The CAS registry number of 2-(CYANOMETHYL)BENZOIC ACID is 6627-91-4.
Molecular formula C9H7NO2, molecular weight 161.16.
It is also registered under: 2-(CYANOMETHYL)BENZOIC ACID, 2-(氰基甲基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 2-(CYANOMETHYL)BENZOIC ACID (CAS 6627-91-4), compiled from public chemistry databases.
| CAS 号 | 6627-91-4 |
|---|---|
| PubChem CID | 81114 |
| 分子式 | C9H7NO2 |
| IUPAC 名称 | 2-(cyanomethyl)benzoic acid |
| UNII（FDA） | A8BQ5UK4Y4 |
| Molecular Weight | 161.16 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 161.047678466 |
| Monoisotopic Mass | 161.047678466 |
| Topological Polar Surface Area | 61.1 |
| Heavy Atom Count | 12 |
2-(Cyanomethyl)benzoic acid; Benzoic acid, 2-(cyanomethyl)-; A8BQ5UK4Y4; NSC-60255; DTXSID50216472; NSC 60255; RefChem:84646; DTXCID50138963; 229-602-3; AGXBHBJDSLZGAP-UHFFFAOYSA-N; 6627-91-4; o-Carboxyphenylacetonitrile; MFCD00020293; o-cyanomethylbenzoic acid; 2-CARBOXYPHENYLACETONITRILE; NSC631630
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
2-(氰基甲基)苯甲酸 · CAS 6627-91-4 · C9H7NO2. UNII A8BQ5UK4Y4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-(氰基甲基)苯甲酸