| CAS Number | 1613317-59-1 |
| Catalog Number | AG00J1CS |
| Chemical Name | (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde |
| IUPAC Name | (E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal |
| InChI | InChI=1S/C10H9ClO2/c1-7(6-12)4-8-5-9(11)2-3-10(8)13/h2-6,13H,1H3/b7-4+ |
| InChI Key | BHOJOPIJARRCBE-QPJJXVBHSA-N |
| MDL Number | MFCD02628428 |
| Molecular Formula | C10H9ClO2 |
| Molecular Weight | 196.6303 |
| SMILES | C/C(=C\c1cc(Cl)ccc1O)/C=O |
| Synonyms | (2E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal,
(2E)-3-(5-CHLORO-2-HYDROXYPHENYL)-2-METHYLACRYLALDEHYDE,
AC1NTD89,
SCHEMBL15772442,
SCHEMBL15772443,
BHOJOPIJARRCBE-QPJJXVBHSA-N,
CHEMBRDG-BB 4012334,
ZINC5516751,
BBL029705,
MFCD02628428,
STL377357,
AKOS002341062,
AJ-54243,
W-9514,
(E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal,
1613317-59-1,
CID5426758,
3-(5-chloro-2-hydroxy-phenyl)-2-methyl-prop-2-enal,
(E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde,
443872-86-4,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 196.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.63g/mol |
| Monoisotopic Mass | 196.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number