Benzeneacetic acid, 2-propyn-1-yl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
72928-39-3- Standard SMILES
C#CCOC(=O)Cc1ccccc1- InChIKey
PGGKKLLJQLDTQC-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2-propyn-1-yl ester
- IUPAC
- prop-2-ynyl 2-phenylacetate
- English name
- 2-Phenylacetic acid propargyl ester
- Molecular formula
- C11H10O2
- Molecular weight
- 174.2
Names & synonyms
2-Propynyl benzeneacetateBenzeneacetic acid, 2-propyn-1-yl esterNSC 6572RefChem:562847prop-2-ynyl 2-phenylacetateBenzeneacetic acid, 2-propynyl ester72928-39-3propargyl phenylacetateProp-2-yn-1-yl phenylacetateDTXSID8072669NSC6572NSC-6572
Show more names
Benzeneacetic acid 2-propynyl ester2-Phenylacetic acid propargyl ester
2-Phenylacetic acid, propargyl ester
Database identifiers
- CAS
72928-39-3- PubChem CID
- 94885
- DTXSID
DTXSID8072669- Nikkaji
- J447.269A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- 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
- 205
Physicochemical properties
- Boiling point
- 274.5 · 274.5±15.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Benzeneacetic acid, 2-propynyl ester (72928-39-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetic acid, 2-propyn-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…