| CAS Number | 59893-28-6 |
| Catalog Number | AG00IPLQ(AGN-PC-05W6IN) |
| Chemical Name | 5-(Butan-2-yl)-2-hydroxybenzaldehyde |
| IUPAC Name | 5-butan-2-yl-2-hydroxybenzaldehyde |
| InChI | InChI=1S/C11H14O2/c1-3-8(2)9-4-5-11(13)10(6-9)7-12/h4-8,13H,3H2,1-2H3 |
| InChI Key | KKECZRYVNIFRRC-UHFFFAOYSA-N |
| MDL Number | MFCD02186042 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CCC(C1=CC(C=O)=C(O)C=C1)C |
| Synonyms | 59893-28-6,
5-Sec-butyl-2-hydroxybenzaldehyde,
5-(butan-2-yl)-2-hydroxybenzaldehyde,
5-(sec-butyl)-2-hydroxybenzenecarbaldehyde,
Benzaldehyde, 2-hydroxy-5-(1-methylpropyl)-,
5-butan-2-yl-2-hydroxybenzaldehyde,
AC1LAW86,
SCHEMBL1527146,
CTK1D9022,
DTXSID20334773,
KKECZRYVNIFRRC-UHFFFAOYSA-N,
2-Hydroxy-5-sec-butylbenzaldehyde,
KS-00001VR6,
MFCD02186042,
AKOS005089116,
3R-0089,
CID521905,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number