| CAS Number | 25692-59-5 |
| Catalog Number | AG00CDLR(AGN-PC-0JO3TO) |
| Chemical Name | Methyl alpha-methylcinnamate |
| IUPAC Name | methyl (E)-2-methyl-3-phenylprop-2-enoate |
| InChI | InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8+ |
| InChI Key | QILOUBBQVGUFNG-CMDGGOBGSA-N |
| MDL Number | MFCD00054163 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | COC(=O)/C(=C/c1ccccc1)/C |
| Synonyms | METHYL 2-METHYL-3-PHENYLACRYLATE,
25692-59-5,
Methyl a-methylcinnamate,
AC1NT22E,
SCHEMBL464969,
SCHEMBL522434,
QILOUBBQVGUFNG-CMDGGOBGSA-N,
METHYL ALPHA-METHYLCINNAMATE,
ZINC4826846,
alpha-Methylcinnamic acid methyl ester,
AKOS006275673,
ACM25692595,
Methyl 2-methyl-3-phenyl-prop-2-enoate,
2-Methyl-3-phenylacrylic acid methyl ester,
methyl (E)-2-methyl-3-phenylprop-2-enoate,
Methyl (2E)-2-methyl-3-phenyl-2-propenoate #,
NSC117250,
CID5374487,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number