| CAS Number | 105772-13-2 |
| Catalog Number | AG007F1J(AGN-PC-0JCMWD) |
| Chemical Name | 2H-Pyran-4-carbonitrile, 3,6-dihydro- |
| IUPAC Name | 3,6-dihydro-2H-pyran-4-carbonitrile |
| InChI | InChI=1S/C6H7NO/c7-5-6-1-3-8-4-2-6/h1H,2-4H2 |
| InChI Key | MICNNRIXWURVND-UHFFFAOYSA-N |
| MDL Number | MFCD20040386 |
| Molecular Formula | C6H7NO |
| Molecular Weight | 109.1259 |
| SMILES | N#CC1=CCOCC1 |
| Synonyms | 3,6-Dihydro-2H-pyran-4-carbonitrile,
105772-13-2,
2H-Pyran-4-carbonitrile, 3,6-dihydro-,
ACMC-20m8y5,
SCHEMBL14812101,
CTK0G4702,
DTXSID80762013,
MICNNRIXWURVND-UHFFFAOYSA-N,
MFCD20040386,
ZINC95495550,
AKOS025149672,
SB16043,
AS-51443,
CJ-22693,
DB-059406,
CS-0051592,
FT-0712371,
K-0512,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 109.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 109.128g/mol |
| Monoisotopic Mass | 109.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number