3-(4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzoic acid (CAS 405921-88-2) — formula C21H17NO3, molecular weight 331.4; category organic chemicals.
| CAS Number | 405921-88-2 |
|---|---|
| Molecular Formula | C21H17NO3 |
| Molecular Weight | 331.4 |
| LogP | 3.6 |
| Category | Organic Chemicals |
3-(4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzoic acid is a carbon-based organic compound with CAS registry number 405921-88-2 and molecular formula C21H17NO3 (molecular weight 331.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 405921-88-2
Its molecular formula C21H17NO3 comprises 21 C, 17 H, 1 N, 3 O atoms.
Also known as: 3-(4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzoic acid · 3-(4-氧代-2-苯基-4,5,6,7-四氢-1H-吲哚-1-基)苯甲酸
Category: organic chemicals
The CAS registry number of 3-(4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzoic acid is 405921-88-2.
Molecular formula C21H17NO3, molecular weight 331.4.
It is also registered under: 3-(4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzoic acid, 3-(4-氧代-2-苯基-4,5,6,7-四氢-1H-吲哚-1-基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-(4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzoic acid (CAS 405921-88-2), compiled from public chemistry databases.
| CAS 号 | 405921-88-2 |
|---|---|
| PubChem CID | 693085 |
| 分子式 | C21H17NO3 |
| IUPAC 名称 | 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)benzoic acid |
| UNII（FDA） | ST50037715 |
| Molecular Weight | 331.4 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 331.12084340 |
| Monoisotopic Mass | 331.12084340 |
| Topological Polar Surface Area | 59.3 |
| Heavy Atom Count | 25 |
3-(4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzoic acid; 405921-88-2; 3-(4-oxo-2-phenyl-5,6,7-trihydroindolyl)benzoic acid; 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)benzoic Acid; Oprea1_429441; Oprea1_847097; SBB038834; AKOS000267143; ST50037715; AS-871/41051117; Z56174681; F1217-0207
3-(4-氧代-2-苯基-4,5,6,7-四氢-1H-吲哚-1-基)苯甲酸 · CAS 405921-88-2 · C21H17NO3. UNII ST50037715.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.