| CAS Number | 81036-81-9 |
| Catalog Number | AG01BB0C(AGN-PC-0N45DB) |
| Chemical Name | 4-(2-Hydroxypropan-2-yl)benzaldehyde |
| IUPAC Name | 4-(2-hydroxypropan-2-yl)benzaldehyde |
| InChI | InChI=1S/C10H12O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-7,12H,1-2H3 |
| InChI Key | RCUMJJBGXUQSOF-UHFFFAOYSA-N |
| MDL Number | MFCD24674074 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | CC(C)(C1=CC=C(C=C1)C=O)O |
| Synonyms | 4-(2-hydroxypropan-2-yl)benzaldehyde,
81036-81-9,
4-(1-Hydroxy-1-methylethyl)benzaldehyde,
RCUMJJBGXUQSOF-UHFFFAOYSA-N,
SCHEMBL1249265,
4-(2-hydroxy-2-propyl)benzaldehyde,
MFCD24674074,
ZINC38810145,
AKOS022636811,
Benzaldehyde, 4-(1-hydroxy-1-methylethyl)-,
CID10419520,
4-(2-hydroxy-2-propyl)benzene-1-carbaldehyde,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number