| CAS Number | 14720-70-8 |
| Catalog Number | AG001EOT(AGN-PC-0JD0NT) |
| Chemical Name | p-Xylylene diacetate |
| IUPAC Name | [4-(acetyloxymethyl)phenyl]methyl acetate |
| InChI | InChI=1S/C12H14O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h3-6H,7-8H2,1-2H3 |
| InChI Key | AMUSNJQKNUGRRF-UHFFFAOYSA-N |
| MDL Number | MFCD00151796 |
| Molecular Formula | C12H18O6 |
| Molecular Weight | 258.2677 |
| SMILES | CC(=O)OCc1ccc(cc1)COC(=O)C |
| Synonyms | p-xylylene diacetate,
14720-70-8,
AMUSNJQKNUGRRF-UHFFFAOYSA-N,
SCHEMBL132773,
1,4-bis-acetoxymethyl-benzene,
Diacetic acid p-xylylene ester,
1,4-Bis(acetoxymethyl)-benzene,
1,4-Benzenedimethanol, 1,4-diacetate,
1,4-bis(hydroxymethyl)benzene diacetate,
CID11138699,
[4-(acetyloxymethyl)phenyl]methyl Acetate,
acetic acid,[4-(hydroxymethyl)phenyl]methanol,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number