| CAS Number | 63667-47-0 |
| Catalog Number | AG00EYX3(AGN-PC-0KFTQ0) |
| Chemical Name | 2-Hydroxy-4-propoxybenzaldehyde |
| IUPAC Name | 2-hydroxy-4-propoxybenzaldehyde |
| InChI | InChI=1S/C10H12O3/c1-2-5-13-9-4-3-8(7-11)10(12)6-9/h3-4,6-7,12H,2,5H2,1H3 |
| InChI Key | SNKNJTBBHBHXLY-UHFFFAOYSA-N |
| MDL Number | MFCD03147298 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | CCCOC1=CC(O)=C(C=O)C=C1 |
| Synonyms | 2-Hydroxy-4-propoxy-benzaldehyde,
2-hydroxy-4-propoxybenzaldehyde,
63667-47-0,
AC1Q2YFR,
AC1M6E6M,
CHEMBL3785691,
SCHEMBL19025099,
CTK2F6498,
DTXSID70368482,
ZINC3281065,
MFCD03147298,
AKOS000115388,
MCULE-7506799034,
NE29530,
2-hydroxy-4-propoxy-benzaldehyde, AldrichCPR,
EN300-01038,
ZINC03281065,
CID2396521,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number