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259809-47-7 | 1,6-Naphthyridine-2,6(5H)-dicarboxylic acid, 7,8-dihydro-, 6-(1,1-dimethylethyl) 2-methyl ester
CAS No: 259809-47-7 Catalog No: AG002RAK MDL No:MFCD09038018
Product Description
Catalog Number:
AG002RAK
Chemical Name:
1,6-Naphthyridine-2,6(5H)-dicarboxylic acid, 7,8-dihydro-, 6-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
259809-47-7
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
MDL Number:
MFCD09038018
IUPAC Name:
6-O-tert-butyl 2-O-methyl 7,8-dihydro-5H-1,6-naphthyridine-2,6-dicarboxylate
InChI:
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17-8-7-11-10(9-17)5-6-12(16-11)13(18)20-4/h5-6H,7-9H2,1-4H3
InChI Key:
SIDSQSLFPRZTOG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(n1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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