| CAS Number | 906353-01-3 |
| Catalog Number | AG006BU2(AGN-PC-0WB2GX) |
| Chemical Name | 4-[(6-Methylpyrazin-2-yl)oxy]benzaldehyde |
| IUPAC Name | 4-(6-methylpyrazin-2-yl)oxybenzaldehyde |
| InChI | InChI=1S/C12H10N2O2/c1-9-6-13-7-12(14-9)16-11-4-2-10(8-15)3-5-11/h2-8H,1H3 |
| InChI Key | VUPYANPNFUPQQU-UHFFFAOYSA-N |
| MDL Number | MFCD09817531 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | O=CC1=CC=C(OC2=NC(C)=CN=C2)C=C1 |
| Synonyms | 4-[(6-Methylpyrazin-2-yl)oxy]benzaldehyde,
906353-01-3,
4-((6-Methylpyrazin-2-yl)oxy)benzaldehyde,
CTK5G8233,
DTXSID50640394,
ZX-AT000144,
MFCD09817531,
SBB094946,
ZINC12370729,
AKOS026675472,
OR14890,
PS-3768,
KS-00002A12,
4-(6-methylpyrazin-2-yloxy)benzaldehyde,
DB-078758,
RT-009898,
FT-0739520,
4-[(6-METHYLPYRAZIN-2-YL)OXY]BENZALDEHYDE 97%,
{4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol,
906353-02-4,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.224g/mol |
| Monoisotopic Mass | 214.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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