Basic information
- CAS
154185-82-7- Standard SMILES
COc1ccc(-c2cc(=O)c3cc(C4=NN(C=O)C(c5ccc(OC)c(OC)c5)C4)ccc3o2)cc1OC- InChIKey
JSHRBVHKJFJSMK-UHFFFAOYSA-N- Molecular formula
- C29H26N2O7
- Average molar mass
- 514.5 g/mol
- Monoisotopic mass
- 514.17400117
Names & identifiers
- Preferred name
- 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-(3,4-dimethoxyphenyl)-3-(2-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)-
- IUPAC
- 3-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)-4-oxochromen-6-yl]-3,4-dihydropyrazole-2-carbaldehyde
- English name
- 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-(3,4-dimethoxyphenyl)-3-(2 -(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)-
- Molecular formula
- C29H26N2O7
- Molecular weight
- 514.53
Names & synonyms
154185-82-71H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-(3,4-dimethoxyphenyl)-3-(2-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)-RefChem:2398603-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)-4-oxochromen-6-yl]-3,4-dihydropyrazole-2-carbaldehydeDTXSID109349435-(3,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-4,5-dihydro-1H-pyrazole-1-carbaldehyde1H-Pyrazole-1-carboxaldehyde, 5-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-4,5-dihydro-1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-(3,4-dimethoxyphenyl)-3-(2 -(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)-
Database identifiers
- CAS
154185-82-7- PubChem CID
- 3073979
- DTXSID
DTXSID10934943
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 923
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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