| CAS Number | 947-94-4 |
| Catalog Number | AG00IIGG(AGN-PC-0W4FFE) |
| Chemical Name | methyl 2-(acetyloxy)-2-phenylacetate |
| IUPAC Name | methyl 2-acetyloxy-2-phenylacetate |
| InChI | InChI=1S/C11H12O4/c1-8(12)15-10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3 |
| InChI Key | SFGOUECCROBXPW-UHFFFAOYSA-N |
| MDL Number | MFCD27578245 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | COC(=O)C(c1ccccc1)OC(=O)C |
| Synonyms | METHYL 2-(ACETYLOXY)-2-PHENYLACETATE,
947-94-4,
methyl 2-acetyloxy-2-phenylacetate,
Mandelic acid, methyl ester, acetate,
AC1LBNCO,
METHYL (2R)-2-(ACETYLOXY)-2-PHENYLACETATE,
SCHEMBL7512529,
Benzeneacetic acid, .alpha.-(acetyloxy)-, methyl ester,
Methyl (acetyloxy)(phenyl)acetate,
SFGOUECCROBXPW-UHFFFAOYSA-N,
methyl 2-acetoxy-2-phenyl-acetate,
82078-97-5,
O-acetyl mandelic acid methyl ester,
Methyl (acetyloxy)(phenyl)acetate #,
alpha-Acetoxybenzeneacetic acid methyl ester,
CID538874,
2-Acetoxy-2-phenylacetic acid methyl ester,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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