| CAS Number | 105731-18-8 |
| Catalog Number | AG009K99(AGN-PC-00N0VJ) |
| Chemical Name | Methyl 3-(4-Hydroxy-2-methylphenyl)propanoate |
| IUPAC Name | methyl 3-(4-hydroxy-2-methylphenyl)propanoate |
| InChI | InChI=1S/C11H14O3/c1-8-7-10(12)5-3-9(8)4-6-11(13)14-2/h3,5,7,12H,4,6H2,1-2H3 |
| InChI Key | JHUHSBADMPWLGW-UHFFFAOYSA-N |
| MDL Number | MFCD11616255 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | COC(=O)CCc1ccc(O)cc1C |
| Synonyms | 105731-18-8,
Methyl 3-(4-Hydroxy-2-methylphenyl)propanoate,
Benzenepropanoic acid,4-hydroxy-2-methyl-,methyl ester,
Benzenepropanoic acid, 4-hydroxy-2-methyl-, methyl ester,
SCHEMBL433147,
JHUHSBADMPWLGW-UHFFFAOYSA-N,
ZINC34087528,
AKOS006315803,
SY026463,
CS-0002178,
MFCD11616255 (95%),
4-Hydroxy-2-methyl-benzenepropanoic acid methyl ester,
3-(4-Hydroxy-2-methyl-phenyl)-propionic acid methyl ester,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number