| CAS Number | 639468-72-7 |
| Catalog Number | AG00ELBX(AGN-PC-0A9YWB) |
| Chemical Name | 4-Benzoyloxane |
| IUPAC Name | oxan-4-yl(phenyl)methanone |
| InChI | InChI=1S/C12H14O2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11H,6-9H2 |
| InChI Key | GLRSKPCBJZOJGG-UHFFFAOYSA-N |
| MDL Number | MFCD16620356 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | O=C(C1=CC=CC=C1)C2CCOCC2 |
| Synonyms | 4-benzoyloxane,
639468-72-7,
phenyl(tetrahydro-2H-pyran-4-yl)methanone,
Methanone, phenyl(tetrahydro-2H-pyran-4-yl)-,
SCHEMBL12789408,
GLRSKPCBJZOJGG-UHFFFAOYSA-N,
Phenyl(4-tetrahydropyranyl)methanone,
MFCD16620356,
ZINC61671160,
AKOS012202876,
NE53979,
AS-44868,
2-(Tetrahydro-2H-pyran-4-yl)benzaldehyde,
EN300-77457,
F8889-4517,
Z1259273220,
(tetrahydro-2H-pyran-4-yl)(phenyl)methanone,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/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
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number