| CAS Number | 1010836-56-2 |
| Catalog Number | AG008U80(AGN-PC-0WAKM8) |
| Chemical Name | 4-(Hydroxymethyl)tetrahydro-2H-pyran-4-carbonitrile |
| IUPAC Name | 4-(hydroxymethyl)oxane-4-carbonitrile |
| InChI | InChI=1S/C7H11NO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-4,6H2 |
| InChI Key | AZJLUZLWQDMMOG-UHFFFAOYSA-N |
| MDL Number | MFCD19103514 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | N#CC1(CO)CCOCC1 |
| Synonyms | 4-(hydroxymethyl)tetrahydro-2H-pyran-4-carbonitrile,
1010836-56-2,
4-(hydroxymethyl)oxane-4-carbonitrile,
SCHEMBL1565996,
AZJLUZLWQDMMOG-UHFFFAOYSA-N,
ALBB-016807,
7309AC,
MFCD19103514,
ZINC49804461,
AKOS015959826,
MCULE-7854892444,
NE16436,
4-cyanotetrahydro-2H-pyran-4-ylmethanol,
CS-0008711,
2H-pyran-4-carbonitrile, tetrahydro-4-(hydroxymethyl)-,
Z1655186121,
C7H11NO2,
(4-cyanotetrahydropyran-4-yl)methanol,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number