1-(3-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde
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Basic information
- CAS
309735-42-0- Standard SMILES
COc1cccc(-n2cccc2C=O)c1- InChIKey
VBRDELGRACETAQ-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 1-(3-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde
- IUPAC
- 1-(3-methoxyphenyl)pyrrole-2-carbaldehyde
- English name
- 1-(3-METHOXY-PHENYL)-1H-PYRROLE-2-CARBALDEHYDE
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
309735-42-01-(3-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde1-(3-methoxyphenyl)-1H-pyrrole-2-carbaldehyde1-(3-methoxyphenyl)pyrrole-2-carbaldehydeSCHEMBL2458358DTXSID80351542MFCD02110515SBB001754STK731587AKOS000100959SB62252DA-19613
Show more names
TIMTEC-BB SBB0017541-(3-METHOXYPHENYL)-1H-PYRROLE-2-CARBOXALDEHYDE1H-PYRROLE-2-CARBOXALDEHYDE, 1-(3-METHOXYPHENYL)-1-(3-Methoxy-phenyl)-1h-pyrrole-2-carbaldehyde1-(3-Methoxy-phenyl)-1h-pyrrole-2-carbaldehyde
ST078895VS-07154CS-0450855F11145SR-01000325619SR-01000325619-1
Database identifiers
- CAS
309735-42-0- PubChem CID
- 702893
- DTXSID
DTXSID80351542
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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