5-Methyl-2-(propan-2-yl)phenyl prop-2-enoate
Basic information
- CAS
7362-71-2- Standard SMILES
C=CC(=O)Oc1cc(C)ccc1C(C)C- InChIKey
SIHJWZQCRXSJFE-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 5-Methyl-2-(propan-2-yl)phenyl prop-2-enoate
- IUPAC
- (5-methyl-2-propan-2-ylphenyl) prop-2-enoate
Names & synonyms
7362-71-25-methyl-2-(propan-2-yl)phenyl prop-2-enoatethymol acrylateNSC159961SCHEMBL38662914DTXSID30994403NSC-159961DS-0136762-PROPENOICACID, 5-METHYL-2-(1-METHYLETHYL)PHENYL ESTER
Database identifiers
- CAS
7362-71-2- PubChem CID
- 293395
- DTXSID
DTXSID30994403
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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