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1269292-84-3 | 1,7-Naphthyridine-7(6H)-carboxylic acid, 5,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 1269292-84-3 Catalog No: AG000TKA MDL No:
Product Description
Catalog Number:
AG000TKA
Chemical Name:
1,7-Naphthyridine-7(6H)-carboxylic acid, 5,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1269292-84-3
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
tert-butyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-8-6-10-5-4-7-14-11(10)9-15/h4-5,7H,6,8-9H2,1-3H3
InChI Key:
JDIZUVIYUJNAGP-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nccc2)OC(C)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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