| CAS Number | 1019546-41-8 |
| Catalog Number | AG01A80A(AGN-PC-0WNLX0) |
| Chemical Name | 6-(cyclopropylmethoxy)pyridine-3-carbonitrile |
| IUPAC Name | 6-(cyclopropylmethoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C10H10N2O/c11-5-9-3-4-10(12-6-9)13-7-8-1-2-8/h3-4,6,8H,1-2,7H2 |
| InChI Key | ILPGCKPRZSRZTE-UHFFFAOYSA-N |
| MDL Number | MFCD11136692 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | N#CC1=CN=C(OCC2CC2)C=C1 |
| Synonyms | 6-(cyclopropylmethoxy)pyridine-3-carbonitrile,
1019546-41-8,
6-(Cyclopropylmethoxy)nicotinonitrile,
AC1Q4R4T,
KS-00003T8P,
ZINC19870787,
AKOS000221301,
MCULE-3176394391,
NE14972,
TS-02408,
EN300-60341,
F8888-2084,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number