| CAS Number | 16533-50-9 |
| Catalog Number | AG001W40(AGN-PC-0NG5FO) |
| Chemical Name | Phenol, 3-propoxy- |
| IUPAC Name | 3-propoxyphenol |
| InChI | InChI=1S/C9H12O2/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,10H,2,6H2,1H3 |
| InChI Key | YYMPIPSWQOGUME-UHFFFAOYSA-N |
| MDL Number | MFCD11053887 |
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.1904 |
| SMILES | CCCOC1=CC(O)=CC=C1 |
| Synonyms | 3-propoxyphenol,
Phenol, 3-propoxy-,
16533-50-9,
m-propoxyphenol,
3-(n-propoxy)phenol,
AC1Q2YDT,
1-hydroxy-3-propoxybenzene,
SCHEMBL875629,
CHEMBL2252471,
CTK0E5755,
DTXSID70455689,
YYMPIPSWQOGUME-UHFFFAOYSA-N,
ZINC32005690,
AKOS009315506,
EN300-61688,
CID11116239,
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| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.193g/mol |
| Monoisotopic Mass | 152.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number