| CAS Number | 1306738-95-3 |
| Catalog Number | AG01C41P(AGN-PC-0WC7LZ) |
| Chemical Name | 2-Ethyl-2-(hydroxymethyl)butanenitrile |
| IUPAC Name | 2-ethyl-2-(hydroxymethyl)butanenitrile |
| InChI | InChI=1S/C7H13NO/c1-3-7(4-2,5-8)6-9/h9H,3-4,6H2,1-2H3 |
| InChI Key | XEMQORBDHXNOHM-UHFFFAOYSA-N |
| MDL Number | MFCD19103513 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | CCC(C#N)(CO)CC |
| Synonyms | 2-ethyl-2-(hydroxymethyl)butanenitrile,
1306738-95-3,
SCHEMBL6043172,
ALBB-016806,
ZX-AN015494,
MFCD19103513,
ZINC66324430,
AKOS015959825,
FCH1053162,
butanenitrile, 2-ethyl-2-(hydroxymethyl)-,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number