Benzoic acid, 4-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)- (CAS 83560-88-7) — formula C12H9NO4, molecular weight 231.20; category organic chemicals.
| CAS Number | 83560-88-7 |
|---|---|
| Molecular Formula | C12H9NO4 |
| Molecular Weight | 231.20 |
| LogP | 0.9 |
| Category | Organic Chemicals |
Benzoic acid, 4-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)- is a carbon-based organic compound with CAS registry number 83560-88-7 and molecular formula C12H9NO4 (molecular weight 231.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83560-88-7
Its molecular formula C12H9NO4 comprises 12 C, 9 H, 1 N, 4 O atoms.
Also known as: Benzoic acid, 4-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)- · 4-(3-甲基-2,5-二氧亚基-2,5-二氢-1H-吡咯-1-基)苯甲酸
Category: organic chemicals
The CAS registry number of Benzoic acid, 4-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)- is 83560-88-7.
Molecular formula C12H9NO4, molecular weight 231.20.
It is also registered under: Benzoic acid, 4-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)-, 4-(3-甲基-2,5-二氧亚基-2,5-二氢-1H-吡咯-1-基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for Benzoic acid, 4-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)- (CAS 83560-88-7), compiled from public chemistry databases.
| CAS 号 | 83560-88-7 |
|---|---|
| PubChem CID | 17604105 |
| 分子式 | C12H9NO4 |
| IUPAC 名称 | 4-(3-methyl-2,5-dioxopyrrol-1-yl)benzoic acid |
| UNII（FDA） | Z390455012 |
| Molecular Weight | 231.20 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.05315777 |
| Monoisotopic Mass | 231.05315777 |
| Topological Polar Surface Area | 74.7 |
| Heavy Atom Count | 17 |
83560-88-7; 4-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid; DTXSID20589680; RefChem:287684; DTXCID30540444; 822-090-8; 4-(3-methyl-2,5-dioxopyrrol-1-yl)benzoic acid; 4-(2,5-Dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid; Benzoic acid, 4-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)-; 4-citraconimidobenzoic acid; CHEMBL171349; SCHEMBL8442000; IDA56088; MFCD11643028; AKOS008124852; CS-0251012
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
4-(3-甲基-2,5-二氧亚基-2,5-二氢-1H-吡咯-1-基)苯甲酸 · CAS 83560-88-7 · C12H9NO4. UNII Z390455012.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.