| CAS Number | 1189873-72-0 |
| Catalog Number | AG008UGN(AGN-PC-0WBOHZ) |
| Chemical Name | 2-(4-Ethoxyphenyl)-2-oxoacetaldehyde hydrate |
| IUPAC Name | 2-(4-ethoxyphenyl)-2-oxoacetaldehyde;hydrate |
| InChI | InChI=1S/C10H10O3.H2O/c1-2-13-9-5-3-8(4-6-9)10(12)7-11;/h3-7H,2H2,1H3;1H2 |
| InChI Key | ZPPPJAZZBMWHNG-UHFFFAOYSA-N |
| MDL Number | MFCD08448031 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | O.CCOC1=CC=C(C=C1)C(=O)C=O |
| Synonyms | 2-(4-Ethoxyphenyl)-2-oxoacetaldehyde hydrate,
1189873-72-0,
4-Ethoxyphenylglyoxal hydrate,
PubChem12346,
CTK6G1596,
DTXSID40661715,
ANW-68059,
MFCD08705884,
SBB091986,
AKOS016006908,
AB48696,
FS-6040,
(4-Ethoxyphenyl)(oxo)acetaldehyde hydrate,
2-(4-ethoxyphenyl)-2-oxoethanal, hydrate,
AX8237720,
TC-156804,
(4-Ethoxyphenyl)(oxo)acetaldehyde--water (1/1),
F2167-2342,
2-(4-Ethoxyphenyl)-2-oxoacetaldehydehydrate,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number