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821791-58-6 | Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CAS No: 821791-58-6 Catalog No: AG005I67 MDL No:MFCD08234670
Product Description
Catalog Number:
AG005I67
Chemical Name:
Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CAS Number:
821791-58-6
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
MDL Number:
MFCD08234670
IUPAC Name:
ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate
InChI:
InChI=1S/C9H10ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h4-5H,3H2,1-2H3
InChI Key:
WGSWOEOJYNQPRP-UHFFFAOYSA-N
SMILES:
Cn1cc(C(=O)OCC)c(cc1=O)Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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