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1201784-86-2 | 1,7-Naphthyridine-3,7(6H)-dicarboxylic acid, 5,8-dihydro-, 7-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1201784-86-2 Catalog No: AG000QHU MDL No:
Product Description
Catalog Number:
AG000QHU
Chemical Name:
1,7-Naphthyridine-3,7(6H)-dicarboxylic acid, 5,8-dihydro-, 7-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1201784-86-2
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
IUPAC Name:
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
InChI:
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17-6-5-10-7-11(13(18)20-4)8-16-12(10)9-17/h7-8H,5-6,9H2,1-4H3
InChI Key:
RGFVBWWCPBXDSB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)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:
1.5
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