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2739-98-2 | Ethyl 2-Pyridylacetate
CAS No: 2739-98-2 Catalog No: AG0034UO MDL No:MFCD00006359
Product Description
Catalog Number:
AG0034UO
Chemical Name:
Ethyl 2-Pyridylacetate
CAS Number:
2739-98-2
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00006359
IUPAC Name:
ethyl 2-pyridin-2-ylacetate
InChI:
InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChI Key:
IUDKTVXSXWAKJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccccn1
EC Number:
220-365-1
NSC Number:
82347
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Reaction of nitrilimines with 2-substituted aza-heterocycles. Synthesis of pyrrolo[1,2-a]pyridine and pyrimido[2,1-d]1,2,3,5- tetrazine. | Molecules (Basel, Switzerland) 20080128 |
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