| CAS Number | 70476-61-8 |
| Catalog Number | AG006859(AGN-PC-00OBGD) |
| Chemical Name | 4-(butan-2-yloxy)phenol |
| IUPAC Name | 4-butan-2-yloxyphenol |
| InChI | InChI=1S/C10H14O2/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8,11H,3H2,1-2H3 |
| InChI Key | ODJNFFWBHMBEMA-UHFFFAOYSA-N |
| MDL Number | MFCD11181780 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | CCC(OC1=CC=C(O)C=C1)C |
| Synonyms | 70476-61-8,
4-(1-methyl-1-propyloxy)-phenol,
4-(Butan-2-yloxy)phenol,
Phenol, 4-(1-methylpropoxy)-,
4-sec-butoxyphenol,
4-sec-butyloxyphenol,
4-(sec-butyloxy)-phenol,
4-(1-methylpropoxy)phenol,
4-[(Butan-2-yl)oxy]phenol,
SCHEMBL3170733,
CTK2H4852,
DTXSID60551821,
ODJNFFWBHMBEMA-UHFFFAOYSA-N,
AKOS009315300,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number