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1245645-20-8 | 1,7-Naphthyridine-3,7(6H)-dicarboxylic acid, 5,8-dihydro-, 7-(1,1-dimethylethyl) ester
CAS No: 1245645-20-8 Catalog No: AG000M9M MDL No:MFCD14706766
Product Description
Catalog Number:
AG000M9M
Chemical Name:
1,7-Naphthyridine-3,7(6H)-dicarboxylic acid, 5,8-dihydro-, 7-(1,1-dimethylethyl) ester
CAS Number:
1245645-20-8
Molecular Formula:
C14H17N2O4-
Molecular Weight:
277.2958
MDL Number:
MFCD14706766
IUPAC Name:
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-5-4-9-6-10(12(17)18)7-15-11(9)8-16/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChI Key:
BOVSVMCJRLZPAW-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)ncc(c2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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