5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid (CAS 6411-50-3) — formula C27H22N2O7, molecular weight 486.5; category organic chemicals.
| CAS Number | 6411-50-3 |
|---|---|
| Molecular Formula | C27H22N2O7 |
| Molecular Weight | 486.5 |
| LogP | 4.7 |
| Category | Organic Chemicals |
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid is a carbon-based organic compound with CAS registry number 6411-50-3 and molecular formula C27H22N2O7 (molecular weight 486.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6411-50-3
Its molecular formula C27H22N2O7 comprises 27 C, 22 H, 2 N, 7 O atoms.
Also known as: 5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid · 5-[(3-羧基-5-甲基-4-氧代-2,5-环己二烯-1-亚基)(4,5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)甲基]-2-羟基-3-甲基苯甲酸
Category: organic chemicals
The CAS registry number of 5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid is 6411-50-3.
Molecular formula C27H22N2O7, molecular weight 486.5.
It is also registered under: 5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid, 5-[(3-羧基-5-甲基-4-氧代-2,5-环己二烯-1-亚基)(4,5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)甲基]-2-羟基-3-甲基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid (CAS 6411-50-3), compiled from public chemistry databases.
| CAS 号 | 6411-50-3 |
|---|---|
| PubChem CID | 71439230 |
| 分子式 | C27H22N2O7 |
| IUPAC 名称 | 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]-2-hydroxy-3-methylbenzoic acid |
| Molecular Weight | 486.5 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 486.14270105 |
| Monoisotopic Mass | 486.14270105 |
| Topological Polar Surface Area | 145 |
| Heavy Atom Count | 36 |
5-[(3-羧基-5-甲基-4-氧代-2,5-环己二烯-1-亚基)(4,5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)甲基]-2-羟基-3-甲基苯甲酸 · CAS 6411-50-3 · C27H22N2O7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-[(3-羧基-5-甲基-4-氧代-2,5-环己二烯-1-亚基)(4,5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)甲基]-2-羟基-3-甲基苯甲酸