Basic information
- CAS
80550-09-0- Standard SMILES
CC(O)COC(=O)Cc1ccccc1- InChIKey
DMVWKGDEFQXZJS-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2-hydroxypropyl ester
- IUPAC
- 2-hydroxypropyl 2-phenylacetate
- English name
- 2-hydroxypropyl phenylacetate
- Molecular formula
- C11H14O3
- Molecular weight
- 194.22706
Names & synonyms
Benzeneacetic acid, 2-hydroxypropyl esterRefChem:5628432-Hydroxypropyl phenylacetate80550-09-0EINECS 279-494-7AI3-06529DTXSID30868579DMVWKGDEFQXZJS-UHFFFAOYSA-NNSC67269NSC 67269NSC-67269DS-013404
Show more names
2-hydroxypropyl 2-phenylacetateBenzeneacetic acid 2-hydroxypropyl ester
NS00060809
Database identifiers
- CAS
80550-09-0- PubChem CID
- 98004
- DTXSID
DTXSID30868579- EC Number
- 279-494-7
- Nikkaji
- J320.286K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzeneacetic acid, 2-hydroxypropyl ester
Chemistry & industry
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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