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23495-12-7 | Ethanol, 2-phenoxy-, 1-propanoate
CAS No: 23495-12-7 Catalog No: AG002NEK MDL No:
Product Description
Catalog Number:
AG002NEK
Chemical Name:
Ethanol, 2-phenoxy-, 1-propanoate
CAS Number:
23495-12-7
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-phenoxyethyl propanoate
InChI:
InChI=1S/C11H14O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
FKTSMIXZGPUSJB-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCOc1ccccc1
EC Number:
245-692-7
UNII:
7232H4RT7Q
NSC Number:
6707
FEMA Number:
4618
Properties
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:
2.3
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 2-phenoxyethyl propionate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901 |
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