(2-Methyl-1-phenylpropyl) acetate
Basic information
- CAS
5706-87-6- Standard SMILES
CC(=O)OC(c1ccccc1)C(C)C- InChIKey
UMFZMZGXBJNXDZ-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- (2-Methyl-1-phenylpropyl) acetate
- IUPAC
- (2-methyl-1-phenylpropyl) acetate
Names & synonyms
5706-87-6(2-methyl-1-phenylpropyl) acetate2-methyl-1-phenylpropyl acetateNSC190973SCHEMBL765776SCHEMBL8472622DTXSID30307392AKOS024323563NSC-190973ACETIC ACID 2-METHYL-1-PHENYL-PROPYL ESTER
Database identifiers
- CAS
5706-87-6- PubChem CID
- 303091
- DTXSID
DTXSID30307392- Nikkaji
- J639.557K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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