| CAS Number | 175982-76-0 |
| Catalog Number | AG0021C0(AGN-PC-0NHXLH) |
| Chemical Name | 4-Methoxytetrahydro-2H-pyran-4-carbaldehyde |
| IUPAC Name | 4-methoxyoxane-4-carbaldehyde |
| InChI | InChI=1S/C7H12O3/c1-9-7(6-8)2-4-10-5-3-7/h6H,2-5H2,1H3 |
| InChI Key | CAHJOULIZJAHEA-UHFFFAOYSA-N |
| MDL Number | MFCD24675899 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | O=CC1(OC)CCOCC1 |
| Synonyms | 175982-76-0,
4-methoxytetrahydro-2H-pyran-4-carbaldehyde,
4-methoxyoxane-4-carbaldehyde,
2H-Pyran-4-carboxaldehyde, tetrahydro-4-methoxy-,
SCHEMBL1565127,
CTK8H2806,
DTXSID90478572,
CAHJOULIZJAHEA-UHFFFAOYSA-N,
ZINC39061404,
AKOS022171479,
NE32708,
4-methoxytetrahydropyran-4-carboxaldehyde,
AJ-97811,
DA-43510,
EN002576,
FT-0730062,
tetrahydro-4-methoxy-2H-Pyran-4-carboxaldehyde,
2H-Pyran-4-carboxaldehyde, tetrahydro-4-methoxy- (9CI),
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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