| CAS Number | 81518-74-3 |
| Catalog Number | AG00529D(AGN-PC-0NCAE1) |
| Chemical Name | [(Pent-4-en-1-yloxy)methyl]benzene |
| IUPAC Name | pent-4-enoxymethylbenzene |
| InChI | InChI=1S/C12H16O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-6,8-9H,1,3,7,10-11H2 |
| InChI Key | HGTJLOSSHOFXQI-UHFFFAOYSA-N |
| MDL Number | MFCD11553675 |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.2548 |
| SMILES | C=CCCCOCC1=CC=CC=C1 |
| Synonyms | 81518-74-3,
[(pent-4-en-1-yloxy)methyl]benzene,
1-benzyloxy-4-pentene,
Benzene, [(4-pentenyloxy)methyl]-,
Pent-4-enoxymethylbenzene,
5-Benzoxy-1-pentene,
5-(Benzyloxy)-1-pentene,
SCHEMBL3269931,
SCHEMBL13158952,
CTK3E4374,
DTXSID30447186,
HGTJLOSSHOFXQI-UHFFFAOYSA-N,
MFCD11553675,
ZINC44495189,
AKOS006325207,
NE54834,
FT-0769303,
A1-05129,
[(4-penten-1-yloxy)methyl]Benzene,
CID10888453,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.259g/mol |
| Monoisotopic Mass | 176.12g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number