| CAS Number | 902836-58-2 |
| Catalog Number | AG00H1RB(AGN-PC-0WQXB3) |
| Chemical Name | 4-(2-Methylphenyl)oxane-4-carbaldehyde |
| IUPAC Name | 4-(2-methylphenyl)oxane-4-carbaldehyde |
| InChI | InChI=1S/C13H16O2/c1-11-4-2-3-5-12(11)13(10-14)6-8-15-9-7-13/h2-5,10H,6-9H2,1H3 |
| InChI Key | WGMPSEDATHMTNT-UHFFFAOYSA-N |
| MDL Number | MFCD08061009 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | Cc1ccccc1C1(CCOCC1)C=O |
| Synonyms | 902836-58-2,
4-(2-Methylphenyl)Oxane-4-Carbaldehyde,
4-(2-METHYLPHENYL)TETRAHYDROPYRAN-4-CARBOXALDEHYDE,
AC1Q2NQA,
SCHEMBL17219889,
CTK8F5457,
MFCD08061009,
ZINC12359750,
MCULE-4532521886,
4-(o-Tolyl)tetrahydropyran-4-carboxaldehyde,
ST50825530,
4-(o-Tolyl)tetrahydro-2H-pyran-4-carboxaldehyde,
4-o-Tolyltetrahydro-2H-pyran-4-carboxaldehyde, AldrichCPR,
4-(2-methylphenyl)-2H-3,4,5,6-tetrahydropyran-4-carbaldehyde,
4-O-TOLYLTETRAHYDRO-2H-PYRAN-4-CARBOXALDEHYDE,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.269g/mol |
| Monoisotopic Mass | 204.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number