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83300-97-4 | 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-1,4-diphenyl-
CAS No: 83300-97-4 Catalog No: AG0055V0 MDL No:
Product Description
Catalog Number:
AG0055V0
Chemical Name:
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-1,4-diphenyl-
CAS Number:
83300-97-4
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
IUPAC Name:
2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylic acid
InChI:
InChI=1S/C21H19NO4/c1-13-17(20(23)24)19(15-9-5-3-6-10-15)18(21(25)26)14(2)22(13)16-11-7-4-8-12-16/h3-12,19H,1-2H3,(H,23,24)(H,25,26)
InChI Key:
VCIHHFBDFJQNSP-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(C)N(c2ccccc2)C(=C(C1c1ccccc1)C(=O)O)C
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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