| CAS Number | 848484-93-5 |
| Catalog Number | AG008G8K(AGN-PC-0H6TI7) |
| Chemical Name | 4-(Benzyloxy)phenethyl decanoate |
| IUPAC Name | 2-(4-phenylmethoxyphenyl)ethyl decanoate |
| InChI | InChI=1S/C25H34O3/c1-2-3-4-5-6-7-11-14-25(26)27-20-19-22-15-17-24(18-16-22)28-21-23-12-9-8-10-13-23/h8-10,12-13,15-18H,2-7,11,14,19-21H2,1H3 |
| InChI Key | MKSNYWIILLZWOY-UHFFFAOYSA-N |
| MDL Number | MFCD22493501 |
| Molecular Formula | C25H34O3 |
| Molecular Weight | 382.5357 |
| SMILES | CCCCCCCCCC(=O)OC(C)C1=CC=C(OCC2=CC=CC=C2)C=C1 |
| Synonyms | 848484-93-5,
2-[4-(Benzyloxy)phenyl]ethyl decanoate,
Decanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester,
SCHEMBL962476,
CTK3C9789,
DTXSID00735901,
3081AC,
ANW-66123,
MFCD22493501,
AKOS016004675,
ZINC100047511,
2-(4-phenylmethoxyphenyl)ethyl decanoate,
Decanoic acid 4-(benzyloxy)phenethyl ester,
TC-154868,
4-(Benzyloxy)phenethyl decanoate,
C25H34O3,
(4-bromothieno[2,3-c]pyridin-2-yl)methanol,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.544g/mol |
| Monoisotopic Mass | 382.251g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H317-H319
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number