| CAS Number | 301666-62-6 |
| Catalog Number | AG00BJ4E(AGN-PC-03LK7E) |
| Chemical Name | Ethyl 3-(cyanomethyl)picolinate |
| IUPAC Name | ethyl 3-(cyanomethyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C10H10N2O2/c1-2-14-10(13)9-8(5-6-11)4-3-7-12-9/h3-4,7H,2,5H2,1H3 |
| InChI Key | SABOUVSBXHEYJP-UHFFFAOYSA-N |
| MDL Number | MFCD22381782 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | CCOC(C1=C(CC#N)C=CC=N1)=O |
| Synonyms | ethyl 3-(cyanomethyl)picolinate,
301666-62-6,
ethyl 3-(cyanomethyl)pyridine-2-carboxylate,
SCHEMBL3371229,
DTXSID70623301,
KS-00000RH7,
MFCD22381782,
ZINC90411165,
AKOS016845216,
RL03056,
AK132768,
AJ-128590,
CS-0061556,
ST24046928,
Y3302,
J-520811,
Z2218555389,
Ethyl3-(cyanomethyl)picolinate,
C10H10N2O2,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.202g/mol |
| Monoisotopic Mass | 190.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number