| CAS Number | 956531-83-2 |
| Catalog Number | AG01ACK5(AGN-PC-0WO2DA) |
| Chemical Name | 1-(hydroxymethyl)cyclobutane-1-carbonitrile |
| IUPAC Name | 1-(hydroxymethyl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C6H9NO/c7-4-6(5-8)2-1-3-6/h8H,1-3,5H2 |
| InChI Key | NCEHIMDMICMIQF-UHFFFAOYSA-N |
| MDL Number | MFCD19103511 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | C1CC(C1)(CO)C#N |
| Synonyms | 1-(hydroxymethyl)cyclobutanecarbonitrile,
1-(hydroxymethyl)cyclobutane-1-carbonitrile,
956531-83-2,
Cyclobutanecarbonitrile, 1-(hydroxymethyl)-,
SCHEMBL4126698,
ALBB-016804,
9526AH,
MFCD19103511,
ZINC66324428,
AKOS015959823,
1-?(hydroxymethyl)?cyclobutanecarbonitr?ile,
T4769,
C6H9NO,
1-Hydroxymethyl-cyclobutanecarbonitrile,
ACN-045061,
1374657-44-9,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number