Basic information
- CAS
694434-08-7- Standard SMILES
COc1ccc(C2=CCNC2)cc1- InChIKey
PHRJFEYVZYMCIC-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole
- IUPAC
- 3-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole
- English name
- 1H-Pyrrole,2,5-dihydro-3-(4-methoxyphenyl)-(9CI)
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
3-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole694434-08-71H-Pyrrole,2,5-dihydro-3-(4-methoxyphenyl)-(9CI)1H-Pyrrole, 2,5-dihydro-3-(4-methoxyphenyl)-SCHEMBL14085315DTXSID80580996AKOS017531980DB-268112CS-0225613EN300-124437Z12626169022,5-Dihydro-3-(4-methoxyphenyl)-1H-pyrrole
Database identifiers
- CAS
694434-08-7- PubChem CID
- 16005226
- DTXSID
DTXSID80580996- Nikkaji
- J1.824.981B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 305.3 · 305.3±42.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 9.43 · 9.43±0.40(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…