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89808-29-7 | 1,3(6H)-Pyridinedicarboxylic acid, 6-methyl-, 3-methyl 1-phenyl ester
CAS No: 89808-29-7 Catalog No: AG003Y9P MDL No:
Product Description
Catalog Number:
AG003Y9P
Chemical Name:
1,3(6H)-Pyridinedicarboxylic acid, 6-methyl-, 3-methyl 1-phenyl ester
CAS Number:
89808-29-7
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
5-O-methyl 1-O-phenyl 2-methyl-2H-pyridine-1,5-dicarboxylate
InChI:
InChI=1S/C15H15NO4/c1-11-8-9-12(14(17)19-2)10-16(11)15(18)20-13-6-4-3-5-7-13/h3-11H,1-2H3
InChI Key:
JITPEVYFCRABGI-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CN(C(C=C1)C)C(=O)Oc1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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