Isopropyl 3-phenylpropionate
Basic information
- CAS
22767-95-9- Standard SMILES
CC(C)OC(=O)CCc1ccccc1- InChIKey
YQPAOLMOGAHRLG-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Overview
isopropyl 3-phenylpropionate has been reported in Baccharis dracunculifolia with data available.
Names & identifiers
- Preferred name
- Isopropyl 3-phenylpropionate
- IUPAC
- propan-2-yl 3-phenylpropanoate
Names & synonyms
propan-2-yl 3-phenylpropanoateisopropyl 3-phenylpropionate22767-95-9DTXSID80324271RefChem:1087671DTXCID102753883-phenyl-propanoic acid 1-methylethyl esterNSC406208Isopropyl 3-phenylpropanoate #SCHEMBL3183513SCHEMBL4428498AKOS008947909
Show more names
NSC-4062083-Phenylpropionic acid, isopropyl ester3-Phenyl-propionic acid, isopropyl esterBenzenepropanoic acid 1-methylethyl esterDA-33480
Database identifiers
- CAS
22767-95-9- PubChem CID
- 347496
- DTXSID
DTXSID80324271- Nikkaji
- J190.773E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Related reactions
3 records
Compound notes
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