| CAS Number | 252771-08-7 |
| Catalog Number | AG00349I(AGN-PC-07AC4G) |
| Chemical Name | 5-Ethynyl-2-hydroxybenzaldehyde |
| IUPAC Name | 5-ethynyl-2-hydroxybenzaldehyde |
| InChI | InChI=1S/C9H6O2/c1-2-7-3-4-9(11)8(5-7)6-10/h1,3-6,11H |
| InChI Key | PQXSLYBFDHBCSW-UHFFFAOYSA-N |
| MDL Number | MFCD18824475 |
| Molecular Formula | C9H6O2 |
| Molecular Weight | 146.1427 |
| SMILES | C(#C)C=1C=CC(=C(C=O)C1)O |
| Synonyms | 5-Ethynyl-2-hydroxybenzaldehyde,
252771-08-7,
5-ethynylsalicylaldehyde,
Benzaldehyde, 5-ethynyl-2-hydroxy-,
Benzaldehyde,5-ethynyl-2-hydroxy-,
SCHEMBL14860313,
CTK4F5360,
DTXSID30665444,
PQXSLYBFDHBCSW-UHFFFAOYSA-N,
MFCD18824475,
ZINC39061574,
AKOS028110048,
KS-0000014Y,
Benzaldehyde, 5-ethynyl-2-hydroxy- (9CI),
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.145g/mol |
| Monoisotopic Mass | 146.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number