| CAS Number | 893740-97-1 |
| Catalog Number | AG00IFPW(AGN-PC-00SQYG) |
| Chemical Name | 2-Thiophenecarboxaldehyde, 5-(4-hydroxyphenyl)- |
| IUPAC Name | 5-(4-hydroxyphenyl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C11H8O2S/c12-7-10-5-6-11(14-10)8-1-3-9(13)4-2-8/h1-7,13H |
| InChI Key | CTJUQMCNJMQHLD-UHFFFAOYSA-N |
| MDL Number | MFCD06802776 |
| Molecular Formula | C11H8O2S |
| Molecular Weight | 204.2450 |
| SMILES | OC1=CC=C(C=C1)C1=CC=C(S1)C=O |
| Synonyms | 893740-97-1,
4-(5-Formylthiophen-2-yl)phenol,
5-(4-Hydroxyphenyl)-2-thiophenecarbaldehyde,
5-(4-Hydroxyphenyl)thiophene-2-carbaldehyde,
2-formyl-5-(4'-hydroxyphenyl)thiophene,
SCHEMBL2018262,
DTXSID80582071,
CTJUQMCNJMQHLD-UHFFFAOYSA-N,
KM2839,
MFCD06802776,
ZINC16948118,
AKOS004113147,
CJ-15694,
BB 0223928,
V8815,
2-Thiophenecarboxaldehyde, 5-(4-hydroxyphenyl)-,
C11H8O2S,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.243g/mol |
| Monoisotopic Mass | 204.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number