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89808-23-1 | 1,3(6H)-Pyridinedicarboxylic acid, 6-phenyl-, 3-methyl 1-phenyl ester
CAS No: 89808-23-1 Catalog No: AG003Y6C MDL No:
Product Description
Catalog Number:
AG003Y6C
Chemical Name:
1,3(6H)-Pyridinedicarboxylic acid, 6-phenyl-, 3-methyl 1-phenyl ester
CAS Number:
89808-23-1
Molecular Formula:
C20H17NO4
Molecular Weight:
335.3533
IUPAC Name:
5-O-methyl 1-O-phenyl 2-phenyl-2H-pyridine-1,5-dicarboxylate
InChI:
InChI=1S/C20H17NO4/c1-24-19(22)16-12-13-18(15-8-4-2-5-9-15)21(14-16)20(23)25-17-10-6-3-7-11-17/h2-14,18H,1H3
InChI Key:
ZCVKEWCFLAGQDX-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CN(C(C=C1)c1ccccc1)C(=O)Oc1ccccc1
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.359g/mol
Monoisotopic Mass:
335.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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