Basic information
- CAS
20766-31-8- Standard SMILES
COc1cccc(C=CC(C)=O)c1- InChIKey
NGEZPLCPKXKLQQ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
Names & identifiers
- Preferred name
- 4-(3-Methoxyphenyl)but-3-en-2-one
- IUPAC
- 4-(3-methoxyphenyl)but-3-en-2-one
Names & synonyms
RefChem:513307845-765-94-(3-methoxyphenyl)but-3-en-2-one4-(3-methoxyphenyl)-3-buten-2-one3-Buten-2-one, 4-(3-methoxyphenyl)-, (3E)-SCHEMBL5323645SCHEMBL10883368NGEZPLCPKXKLQQ-UHFFFAOYSA-N1-(3-methoxyphenyl)but-1-en-3-oneAKOS017272744
Database identifiers
- CAS
20766-31-8- PubChem CID
- 182007
- EC Number
- 845-765-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
13 records
Compound notes
Loading…