| CAS Number | 1082576-04-2 |
| Catalog Number | AG008VPK(AGN-PC-0WO0ZJ) |
| Chemical Name | 2-(Phenoxymethyl)thiazole-4-carbaldehyde |
| IUPAC Name | 2-(phenoxymethyl)-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C11H9NO2S/c13-6-9-8-15-11(12-9)7-14-10-4-2-1-3-5-10/h1-6,8H,7H2 |
| InChI Key | LWFBPIWCVMQAMZ-UHFFFAOYSA-N |
| MDL Number | MFCD11587920 |
| Molecular Formula | C11H9NO2S |
| Molecular Weight | 219.2597 |
| SMILES | O=CC1N=C(COC2=CC=CC=C2)SC=1 |
| Synonyms | 2-(phenoxymethyl)-1,3-thiazole-4-carbaldehyde,
2-(Phenoxymethyl)thiazole-4-carbaldehyde,
1082576-04-2,
AC1Q6PYS,
SCHEMBL15972271,
CTK7I0505,
LWFBPIWCVMQAMZ-UHFFFAOYSA-N,
ZINC19723140,
AKOS010295224,
MCULE-1019035409,
NE27230,
EN300-52183,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.258g/mol |
| Monoisotopic Mass | 219.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number