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126335-08-8 | Furo[3,4-b]pyridine-3-carboxylic acid, 4-[2-(difluoromethoxy)phenyl]-5,7-dihydro-2-methyl-5-oxo-, ethyl ester
CAS No: 126335-08-8 Catalog No: AG000SO4 MDL No:
Product Description
Catalog Number:
AG000SO4
Chemical Name:
Furo[3,4-b]pyridine-3-carboxylic acid, 4-[2-(difluoromethoxy)phenyl]-5,7-dihydro-2-methyl-5-oxo-, ethyl ester
CAS Number:
126335-08-8
Molecular Formula:
C18H15F2NO5
Molecular Weight:
363.3122
IUPAC Name:
ethyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
InChI:
InChI=1S/C18H15F2NO5/c1-3-24-16(22)13-9(2)21-11-8-25-17(23)15(11)14(13)10-6-4-5-7-12(10)26-18(19)20/h4-7,18H,3,8H2,1-2H3
InChI Key:
DURGIPSJEIRDCN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc2c(c1c1ccccc1OC(F)F)C(=O)OC2
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.317g/mol
Monoisotopic Mass:
363.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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