| CAS Number | 129150-61-4 |
| Catalog Number | AG000YX4(AGN-PC-0KKIHJ) |
| Chemical Name | Benzenepropanoic acid, 3-hydroxy-4-methoxy-, methyl ester |
| IUPAC Name | methyl 3-(3-hydroxy-4-methoxyphenyl)propanoate |
| InChI | InChI=1S/C11H14O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3,5,7,12H,4,6H2,1-2H3 |
| InChI Key | DMHDKUFZHGVDCN-UHFFFAOYSA-N |
| MDL Number | MFCD00230965 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | C1(O)C=C(CCC(OC)=O)C=CC=1OC |
| Synonyms | methyl 3-(3-hydroxy-4-methoxyphenyl)propanoate,
129150-61-4,
AC1MBKBJ,
CTK4B6179,
DTXSID00372875,
ZINC3132846,
MFCD00230965,
AKOS004907021,
RT-013786,
FT-0671836,
3-Hydroxy-4-methoxybenzenepropanoic Acid Methyl Ester,
3-Hydroxy-4-methoxydihydrocinnamic Acid Methyl Ester,
3-(3-Hydroxy-4-methoxyphenyl)propanoic acid methyl ester,
Benzenepropanoic acid, 3-hydroxy-4-methoxy-, methyl ester,
3-(3-hydroxy-4-methoxy-phenyl)-propionic acid methyl ester AldrichCPR,
3-(3-hydroxy-4-methoxy-phenyl)-propionic acid methyl ester, AldrichCPR,
ZINC03132846,
CID2752053,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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