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76258-20-3 | Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CAS No: 76258-20-3 Catalog No: AG00570T MDL No:MFCD04222132
Product Description
Catalog Number:
AG00570T
Chemical Name:
Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CAS Number:
76258-20-3
Molecular Formula:
C17H16N2O6
Molecular Weight:
344.3187
MDL Number:
MFCD04222132
IUPAC Name:
dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
InChI:
InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8H,1-4H3
InChI Key:
WLSSRGYMMSQMGL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C
EC Number:
278-405-9
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.323g/mol
Monoisotopic Mass:
344.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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