Basic information
- CAS
258831-55-9- Standard SMILES
COc1ccc(C=O)cc1C1CCCC1- InChIKey
NYPXNLRZCKJQHM-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 3-Cyclopentyl-4-methoxybenzaldehyde
- IUPAC
- 3-cyclopentyl-4-methoxybenzaldehyde
- English name
- 3-Cyclopentyl-4-methoxybenzaldehyde
- Molecular formula
- C13H16O2
- Molecular weight
- 204.27
Names & synonyms
3-cyclopentyl-4-methoxybenzaldehyde258831-55-9SCHEMBL6407399NYPXNLRZCKJQHM-UHFFFAOYSA-NDTXSID201293816Benzaldehyde, 3-cyclopentyl-4-methoxy-
Database identifiers
- CAS
258831-55-9- PubChem CID
- 22571071
- DTXSID
DTXSID201293816
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 324.5 · 324.5±35.0 °C(predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
20 records
Compound notes
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