| CAS Number | 88416-58-4 |
| Catalog Number | AG00H2ET(AGN-PC-0VLBL6) |
| Chemical Name | 2-(4-(Hydroxymethyl)phenyl)propan-2-ol |
| IUPAC Name | 2-[4-(hydroxymethyl)phenyl]propan-2-ol |
| InChI | InChI=1S/C10H14O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6,11-12H,7H2,1-2H3 |
| InChI Key | SCFJMEUTGBQXLX-UHFFFAOYSA-N |
| MDL Number | MFCD27931413 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | OCC1=CC=C(C=C1)C(C)(C)O |
| Synonyms | 2-[4-(hydroxymethyl)phenyl]propan-2-ol,
88416-58-4,
2-(4-(hydroxymethyl)phenyl)propan-2-ol,
1,4-Benzenedimethanol, alpha,alpha-dimethyl-,
SCHEMBL2175643,
SCFJMEUTGBQXLX-UHFFFAOYSA-N,
ZINC14588631,
NE46734,
alpha,alpha-dimethyl-4-hydroxymethylbenzyl alcohol,
4-(Hydroxymethyl)-alpha,alpha-dimethylbenzenemethanol,
|
| Complexity | 135 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number