| CAS Number | 89975-77-9 |
| Catalog Number | AG006MYM(AGN-PC-02L32K) |
| Chemical Name | [4-(Hydroxymethyl)oxan-4-yl]methanol |
| IUPAC Name | [4-(hydroxymethyl)oxan-4-yl]methanol |
| InChI | InChI=1S/C7H14O3/c8-5-7(6-9)1-3-10-4-2-7/h8-9H,1-6H2 |
| InChI Key | NKSPVEFJJKKISK-UHFFFAOYSA-N |
| MDL Number | MFCD16653124 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | OCC1(CO)CCOCC1 |
| Synonyms | [4-(Hydroxymethyl)oxan-4-yl]methanol,
89975-77-9,
(Oxane-4,4-diyl)dimethanol,
ACMC-209r40,
SCHEMBL3301796,
CTK8B2641,
DTXSID60600661,
ANW-39406,
KM2890,
ZINC48981146,
AKOS006336515,
TC-128151,
V8862,
C7H14O3,
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| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number