| CAS Number | 30413-62-8 |
| Catalog Number | AG00C2KT |
| Chemical Name | 3-Ethynyl-4-methylpyridine |
| IUPAC Name | 3-ethynyl-4-methylpyridine |
| InChI | InChI=1S/C8H7N/c1-3-8-6-9-5-4-7(8)2/h1,4-6H,2H3 |
| InChI Key | BHTSIYCRJMKMGP-UHFFFAOYSA-N |
| MDL Number | MFCD13175239 |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.1479 |
| SMILES | C(#C)C=1C=NC=CC1C |
| Synonyms | 3-ethynyl-4-methylpyridine,
30413-62-8,
3-ETHYNYL-4-METHYL-PYRIDINE,
SCHEMBL1459949,
DTXSID30620710,
BHTSIYCRJMKMGP-UHFFFAOYSA-N,
ZINC72230804,
AKOS014315932,
AB66569,
F-1003,
4-Picoline, 3-ethynyl- (8CI),
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.151g/mol |
| Monoisotopic Mass | 117.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number