Allyl 3-methylbenzoate
Basic information
- CAS
7250-12-6- Standard SMILES
C=CCOC(=O)c1cccc(C)c1- InChIKey
WJTFPKSSYSADRW-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- Allyl 3-methylbenzoate
- IUPAC
- prop-2-enyl 3-methylbenzoate
Names & synonyms
Allyl 3-methylbenzoatem-Toluic acid, allyl ester7250-12-6DTXSID30280656RefChem:318066DTXCID80231810WJTFPKSSYSADRW-UHFFFAOYSA-NPROP-2-EN-1-YL 3-METHYLBENZOATEAllyl 3-methylbenzoate #SCHEMBL3264900NSC17888NSC-17888
Database identifiers
- CAS
7250-12-6- PubChem CID
- 226904
- DTXSID
DTXSID30280656- Nikkaji
- J3.000.755G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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