| CAS Number | 417712-26-6 |
| Catalog Number | AG00J2ME(AGN-PC-0WB62E) |
| Chemical Name | methyl (2E)-3-(3-formyl-4-hydroxyphenyl)acrylate |
| IUPAC Name | methyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate |
| InChI | InChI=1S/C11H10O4/c1-15-11(14)5-3-8-2-4-10(13)9(6-8)7-12/h2-7,13H,1H3/b5-3+ |
| InChI Key | YZCNMNIEOSATKG-HWKANZROSA-N |
| MDL Number | MFCD22575202 |
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.1947 |
| SMILES | O=C(OC)/C=C/C1=CC=C(O)C(C=O)=C1 |
| Synonyms | methyl (2E)-3-(3-formyl-4-hydroxyphenyl)acrylate,
methyl E-3-(4-hydroxy-3-formylphenyl)acrylate,
417712-26-6,
ZX-CM010101,
MFCD22575202,
ZINC15217490,
AKOS005264609,
Y-8511,
CID10330602,
Methyl (E)-3-(3-formyl-4-hydroxy-phenyl)prop-2-enoate,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 206.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.197g/mol |
| Monoisotopic Mass | 206.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number