| CAS Number | 18096-70-3 |
| Catalog Number | AG0022II(AGN-PC-019XXB) |
| Chemical Name | 3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one |
| IUPAC Name | 3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C12H15NO2/c1-13(2)9-8-12(14)10-4-6-11(15-3)7-5-10/h4-9H,1-3H3 |
| InChI Key | FXNAUCNJLHEGGF-UHFFFAOYSA-N |
| MDL Number | MFCD00097914 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | O=C(C1=CC=C(OC)C=C1)/C=C/N(C)C |
| Synonyms | 3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one,
18096-70-3,
AC1LF3HO,
CTK7A1736,
KS-00001RJW,
dimethylaminomethoxyphenylpropenone,
DTXSID40352292,
FXNAUCNJLHEGGF-UHFFFAOYSA-N,
AKOS015991210,
MCULE-6018550294,
RP11962,
3-dimethylamino-4'-methoxyacrylophenone,
11C-002,
CID722402,
ZINC00126223,
(2Z)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one,
(E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.257g/mol |
| Monoisotopic Mass | 205.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number