| CAS Number | 58883-98-0 |
| Catalog Number | AG00IAGU(AGN-PC-0WAY5O) |
| Chemical Name | 3-Phenoxypropyl acetate |
| IUPAC Name | 3-phenoxypropyl acetate |
| InChI | InChI=1S/C11H14O3/c1-10(12)13-8-5-9-14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3 |
| InChI Key | FZOXUFODEISZLN-UHFFFAOYSA-N |
| MDL Number | MFCD28976611 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | O=C(OCCCOC1(=CC=CC=C1))C |
| Synonyms | 3-phenoxypropyl acetate,
58883-98-0,
AMTGC137,
SCHEMBL8328391,
FZOXUFODEISZLN-UHFFFAOYSA-N,
MFCD28976611,
AKOS025392191,
ZINC146112950,
AS-3185,
KS-000022P9,
C11H14O3,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number